Product OPENEYE NAME: 1,1-dibromo-2,3-dimethyl-but-2-ene
CAS Name: 1,1-dibromo-2,3-dimethyl-2-butene
IUPAC NAME: 1,1-dibromo-2,3-dimethylbut-2-ene
SYSTEMATIC NAME: 1,1-bis(bromanyl)-2,3-dimethyl-but-2-ene
MOLECULAR FORMULA: C6H10Br2
MOLECULAR WEIGHT: 241.9516
SMILES: CC(=C(C)C(Br)Br)C
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Product OPENEYE NAME: O1-methyl O2-[(E)-octadec-9-enoyl] benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid O1-methyl ester O2-[(E)-1-oxooctadec-9-enyl] ester
IUPAC NAME: 1-O-methyl 2-O-[(E)-octadec-9-enoyl] benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O1-methyl O2-[(E)-octadec-9-enoyl] benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C27H40O5
MOLECULAR WEIGHT: 444.6035
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)C1=CC=CC=C1C(=O)OC
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Product OPENEYE NAME: 2-hydroxyethyl [hydroxy(2-hydroxyethoxy)phosphoryl] propyl phosphate
CAS Name: phosphoric acid 2-hydroxyethyl [hydroxy(2-hydroxyethoxy)phosphoryl] propyl ester
IUPAC NAME: 2-hydroxyethyl [hydroxy(2-hydroxyethoxy)phosphoryl] propyl phosphate
SYSTEMATIC NAME: 2-hydroxyethyl [2-hydroxyethyloxy(oxidanyl)phosphoryl] propyl phosphate
MOLECULAR FORMULA: C7H18O9P2
MOLECULAR WEIGHT: 308.159942
SMILES: CCCOP(=O)(OCCO)OP(=O)(O)OCCO
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Product OPENEYE NAME: 1,2-dichloropropane-1,3-diol
CAS Name: 1,2-dichloropropane-1,3-diol
IUPAC NAME: 1,2-dichloropropane-1,3-diol
SYSTEMATIC NAME: 1,2-bis(chloranyl)propane-1,3-diol
MOLECULAR FORMULA: C3H6Cl2O2
MOLECULAR WEIGHT: 144.98454
SMILES: C(C(C(O)Cl)Cl)O
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Product OPENEYE NAME: trisodium; 2-(2-aminoethoxy)ethanamine; 2-[carboxylatomethyl-[2-[2-[carboxylatomethyl-[2-(2-hydroxyethoxy)-2-oxo-ethyl]amino]ethoxy]ethyl]amino]acetate
CAS Name: trisodium; 2-(2-aminoethoxy)ethanamine; 2-[carboxylatomethyl-[2-[2-[carboxylatomethyl-[2-(2-hydroxyethoxy)-2-oxoethyl]amino]ethoxy]ethyl]amino]acetate
IUPAC NAME: trisodium; 2-(2-aminoethoxy)ethanamine; 2-[carboxylatomethyl-[2-[2-[carboxylatomethyl-[2-(2-hydroxyethoxy)-2-oxoethyl]amino]ethoxy]ethyl]amino]acetate
SYSTEMATIC NAME: trisodium; 2-(2-azanylethoxy)ethanamine; 2-[2-[2-[[2-(2-hydroxyethyloxy)-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethoxy]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C18H33N4Na3O11
MOLECULAR WEIGHT: 550.44413
SMILES: C(COCCN)N.C(COCCN(CC(=O)[O-])CC(=O)OCCO)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
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Product OPENEYE NAME: 2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]-4-carboxy-butanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-carboxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-3-car
CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-methyl-1-oxopentyl]amino]-4-carboxy-1-oxobutyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-carboxy-1-oxobutyl]amino]-3-carboxy-1-oxopr
IUPAC NAME: 2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypro
SYSTEMATIC NAME: 2-[[2-[[2-[[2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]a
MOLECULAR FORMULA: C53H89N11O21
MOLECULAR WEIGHT: 1216.33486
SMILES: CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC(C)C)N
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Product OPENEYE NAME: 2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid
CAS Name: 2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-mercapto-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid
IUPAC NAME: 2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C21H31N5O7S
MOLECULAR WEIGHT: 497.56514
SMILES: CC(C)C(C(=O)NC(CS)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NCC(=O)O)N
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Product OPENEYE NAME: 1-(1H-imidazol-2-ylsulfinyl)-N,N-dimethyl-1-phenyl-methanamine
CAS Name: 1-(1H-imidazol-2-ylsulfinyl)-N,N-dimethyl-1-phenylmethanamine
IUPAC NAME: 1-(1H-imidazol-2-ylsulfinyl)-N,N-dimethyl-1-phenylmethanamine
SYSTEMATIC NAME: 1-(1H-imidazol-2-ylsulfinyl)-N,N-dimethyl-1-phenyl-methanamine
MOLECULAR FORMULA: C12H15N3OS
MOLECULAR WEIGHT: 249.332
SMILES: CN(C)C(C1=CC=CC=C1)S(=O)C2=NC=CN2
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Product OPENEYE NAME: N-[6-[2-[dimethylamino(phenyl)methyl]sulfanylimidazol-1-yl]-3-pyridyl]acetamide
CAS Name: N-[6-[2-[[dimethylamino(phenyl)methyl]thio]-1-imidazolyl]-3-pyridinyl]acetamide
IUPAC NAME: N-[6-[2-[dimethylamino(phenyl)methyl]sulfanylimidazol-1-yl]pyridin-3-yl]acetamide
SYSTEMATIC NAME: N-[6-[2-[dimethylamino(phenyl)methyl]sulfanylimidazol-1-yl]pyridin-3-yl]ethanamide
MOLECULAR FORMULA: C19H21N5OS
MOLECULAR WEIGHT: 367.46794
SMILES: CC(=O)NC1=CN=C(C=C1)N2C=CN=C2SC(C3=CC=CC=C3)N(C)C
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Product OPENEYE NAME: 1-(1H-imidazol-2-ylsulfanyl)-N,N-dimethyl-1-phenyl-methanamine
CAS Name: 1-(1H-imidazol-2-ylthio)-N,N-dimethyl-1-phenylmethanamine
IUPAC NAME: 1-(1H-imidazol-2-ylsulfanyl)-N,N-dimethyl-1-phenylmethanamine
SYSTEMATIC NAME: 1-(1H-imidazol-2-ylsulfanyl)-N,N-dimethyl-1-phenyl-methanamine
MOLECULAR FORMULA: C12H15N3S
MOLECULAR WEIGHT: 233.3326
SMILES: CN(C)C(C1=CC=CC=C1)SC2=NC=CN2
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Product OPENEYE NAME: N-[chloro(phenyl)methyl]-2,3,4-trimethyl-benzenesulfonamide
CAS Name: N-[chloro(phenyl)methyl]-2,3,4-trimethylbenzenesulfonamide
IUPAC NAME: N-[chloro(phenyl)methyl]-2,3,4-trimethylbenzenesulfonamide
SYSTEMATIC NAME: N-[chloranyl(phenyl)methyl]-2,3,4-trimethyl-benzenesulfonamide
MOLECULAR FORMULA: C16H18ClNO2S
MOLECULAR WEIGHT: 323.83762
SMILES: CC1=C(C(=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)Cl)C)C
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Product OPENEYE NAME: 1-(2,2-diethoxyethyl)-1-(2-pyridyl)thiourea
CAS Name: 1-(2,2-diethoxyethyl)-1-(2-pyridinyl)thiourea
IUPAC NAME: 1-(2,2-diethoxyethyl)-1-pyridin-2-ylthiourea
SYSTEMATIC NAME: 1-(2,2-diethoxyethyl)-1-pyridin-2-yl-thiourea
MOLECULAR FORMULA: C12H19N3O2S
MOLECULAR WEIGHT: 269.36316
SMILES: CCOC(CN(C1=CC=CC=N1)C(=S)N)OCC
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Product OPENEYE NAME: N-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]acetamide
CAS Name: N-[2-[(2-cyclopenta[d]imidazolylthio)methyl]phenyl]acetamide
IUPAC NAME: N-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)phenyl]ethanamide
MOLECULAR FORMULA: C15H13N3OS
MOLECULAR WEIGHT: 283.34822
SMILES: CC(=O)NC1=CC=CC=C1CSC2=NC3=CC=CC3=N2
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Product OPENEYE NAME: 2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)aniline
CAS Name: 2-[(2-cyclopenta[d]imidazolylthio)methyl]aniline
IUPAC NAME: 2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)aniline
SYSTEMATIC NAME: 2-(cyclopenta[d]imidazol-2-ylsulfanylmethyl)aniline
MOLECULAR FORMULA: C13H11N3S
MOLECULAR WEIGHT: 241.31154
SMILES: C1=CC=C(C(=C1)CSC2=NC3=CC=CC3=N2)N
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Product OPENEYE NAME: 4-[2-(imidazol-1-ylsulfanylmethyl)phenyl]morpholine
CAS Name: 4-[2-[(1-imidazolylthio)methyl]phenyl]morpholine
IUPAC NAME: 4-[2-(imidazol-1-ylsulfanylmethyl)phenyl]morpholine
SYSTEMATIC NAME: 4-[2-(imidazol-1-ylsulfanylmethyl)phenyl]morpholine
MOLECULAR FORMULA: C14H17N3OS
MOLECULAR WEIGHT: 275.36928
SMILES: C1COCCN1C2=CC=CC=C2CSN3C=CN=C3
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