CAS RN: 21132-40-1
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-phenyl-2-propenenitrile
OPENEYE Name: (E)-3-(3,4-dimethoxyphenyl)-2-phenyl-prop-2-enenitrile
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)-2-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: COC1=C(C=C(C=C1)/C=C(/C#N)\C2=CC=CC=C2)OC
Structure:
CAS RN: 85460-34-0
CAS Name: (3R)-1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
OPENEYE Name: (3R)-1-amino-3-(p-tolyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
IUPAC Name: (3R)-1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
SYSTEMATIC NAME: (3R)-1-azanyl-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
MOLECULAR FORMULA: C20H14N4S
MOLECULAR WEIGHT: 342.41696
SMILES: CC1=CC=C(C=C1)[C@@H]2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N
Structure:
CAS RN: 85460-34-0
CAS Name: (3S)-1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
OPENEYE Name: (3S)-1-amino-3-(p-tolyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
IUPAC Name: (3S)-1-amino-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
SYSTEMATIC NAME: (3S)-1-azanyl-3-(4-methylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
MOLECULAR FORMULA: C20H14N4S
MOLECULAR WEIGHT: 342.41696
SMILES: CC1=CC=C(C=C1)[C@H]2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N
Structure:
CAS RN: 17136-45-7
CAS Name: (2S)-3-hydroxy-2-[(phenylmethyl)amino]propanoic acid
OPENEYE Name: (2S)-2-(benzylamino)-3-hydroxy-propanoic acid
IUPAC Name: (2S)-2-(benzylamino)-3-hydroxypropanoic acid
SYSTEMATIC NAME: (2S)-3-oxidanyl-2-[(phenylmethyl)amino]propanoic acid
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: C1=CC=C(C=C1)CN[C@@H](CO)C(=O)O
Structure:
CAS RN: 33233-67-9
CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid
OPENEYE Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid
IUPAC Name: 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 38951-60-9
CAS Name: (5R)-5-methyl-4-phenyl-1,3,4-thiadiazolidine-2-thione
OPENEYE Name: (5R)-5-methyl-4-phenyl-1,3,4-thiadiazolidine-2-thione
IUPAC Name: (5R)-5-methyl-4-phenyl-1,3,4-thiadiazolidine-2-thione
SYSTEMATIC NAME: (5R)-5-methyl-4-phenyl-1,3,4-thiadiazolidine-2-thione
MOLECULAR FORMULA: C9H10N2S2
MOLECULAR WEIGHT: 210.3191
SMILES: C[C@@H]1N(NC(=S)S1)C2=CC=CC=C2
Structure:
CAS RN: 38951-60-9
CAS Name: (5S)-5-methyl-4-phenyl-1,3,4-thiadiazolidine-2-thione
OPENEYE Name: (5S)-5-methyl-4-phenyl-1,3,4-thiadiazolidine-2-thione
IUPAC Name: (5S)-5-methyl-4-phenyl-1,3,4-thiadiazolidine-2-thione
SYSTEMATIC NAME: (5S)-5-methyl-4-phenyl-1,3,4-thiadiazolidine-2-thione
MOLECULAR FORMULA: C9H10N2S2
MOLECULAR WEIGHT: 210.3191
SMILES: C[C@H]1N(NC(=S)S1)C2=CC=CC=C2
Structure:
CAS RN: 7442-07-1
CAS Name: 6-amino-3H-1,3-benzothiazole-2-thione
OPENEYE Name: 6-amino-3H-1,3-benzothiazole-2-thione
IUPAC Name: 6-amino-3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 6-azanyl-3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H6N2S2
MOLECULAR WEIGHT: 182.26594
SMILES: C1=CC2=C(C=C1N)SC(=S)N2
Structure:
CAS RN: 21076-09-5
CAS Name: 1-amino-1-methyl-3-phenylthiourea
OPENEYE Name: 1-amino-1-methyl-3-phenyl-thiourea
IUPAC Name: 1-amino-1-methyl-3-phenylthiourea
SYSTEMATIC NAME: 1-azanyl-1-methyl-3-phenyl-thiourea
MOLECULAR FORMULA: C8H11N3S
MOLECULAR WEIGHT: 181.25804
SMILES: CN(C(=S)NC1=CC=CC=C1)N
Structure:
CAS RN: 57332-73-7
CAS Name: 2-(6-imidazo[2,1-b]thiazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-imidazo[2,1-b]thiazol-6-ylacetate
IUPAC Name: ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SYSTEMATIC NAME: ethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylethanoate
MOLECULAR FORMULA: C9H10N2O2S
MOLECULAR WEIGHT: 210.2529
SMILES: CCOC(=O)CC1=CN2C=CSC2=N1
Structure:
CAS RN: 880-29-5
CAS Name: (4-ethoxyphenyl)thiourea
OPENEYE Name: (4-ethoxyphenyl)thiourea
IUPAC Name: (4-ethoxyphenyl)thiourea
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)thiourea
MOLECULAR FORMULA: C9H12N2OS
MOLECULAR WEIGHT: 196.26938
SMILES: CCOC1=CC=C(C=C1)NC(=S)N
Structure:
CAS RN: 39912-61-3
CAS Name: 3-(phenylmethyl)-2-thiazolimine
OPENEYE Name: 3-benzylthiazol-2-imine
IUPAC Name: 3-benzyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-(phenylmethyl)-1,3-thiazol-2-imine
MOLECULAR FORMULA: C10H10N2S
MOLECULAR WEIGHT: 190.2648
SMILES: C1=CC=C(C=C1)CN2C=CSC2=N
Structure:
CAS RN: 5244-43-9
CAS Name: 1-phenyl-3-(2-pyrimidinyl)urea
OPENEYE Name: 1-phenyl-3-pyrimidin-2-yl-urea
IUPAC Name: 1-phenyl-3-pyrimidin-2-ylurea
SYSTEMATIC NAME: 1-phenyl-3-pyrimidin-2-yl-urea
MOLECULAR FORMULA: C11H10N4O
MOLECULAR WEIGHT: 214.2233
SMILES: C1=CC=C(C=C1)NC(=O)NC2=NC=CC=N2
Structure:
CAS RN: 24779-68-8
CAS Name: 2-(1-adamantyl)propanedioic acid
OPENEYE Name: 2-(1-adamantyl)propanedioic acid
IUPAC Name: 2-(1-adamantyl)propanedioic acid
SYSTEMATIC NAME: 2-(1-adamantyl)propanedioic acid
MOLECULAR FORMULA: C13H18O4
MOLECULAR WEIGHT: 238.27962
SMILES: C1C2CC3CC1CC(C2)(C3)C(C(=O)O)C(=O)O
Structure:
CAS RN: 105512-86-5
CAS Name: 4-(4-cyclohexylphenyl)-2-thiazolamine
OPENEYE Name: 4-(4-cyclohexylphenyl)thiazol-2-amine
IUPAC Name: 4-(4-cyclohexylphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-cyclohexylphenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C15H18N2S
MOLECULAR WEIGHT: 258.38182
SMILES: C1CCC(CC1)C2=CC=C(C=C2)C3=CSC(=N3)N
Structure:
CAS RN: 7659-07-6
CAS Name: 5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
OPENEYE Name: 5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
IUPAC Name: 5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: 5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C8H6FN3O
MOLECULAR WEIGHT: 179.151143
SMILES: C1=CC(=CC=C1C2=NN=C(O2)N)F
Structure:
CAS RN: 6372-14-1
CAS Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-1-benzyl-2-hydroxy-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C17H19NO3
MOLECULAR WEIGHT: 285.33766
SMILES: C1=CC=C(C=C1)C[C@@H](CO)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 43041-12-9
CAS Name: (2R)-2-pyrrolidinecarboxylic acid methyl ester
OPENEYE Name: methyl (2R)-pyrrolidine-2-carboxylate
IUPAC Name: methyl (2R)-pyrrolidine-2-carboxylate
SYSTEMATIC NAME: methyl (2R)-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: COC(=O)[C@H]1CCCN1
Structure:
CAS RN: 94089-47-1
CAS Name: 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[(1R)-1-methyl-2-oxo-cyclohexyl]propanoate
IUPAC Name: methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate
SYSTEMATIC NAME: methyl 3-[(1R)-1-methyl-2-oxidanylidene-cyclohexyl]propanoate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: C[C@@]1(CCCCC1=O)CCC(=O)OC
Structure:
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