2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4)C

InChI

InChI=1S/C24H29N5OS/c1-16-13-17(2)15-20(14-16)26-23(30)21(18-9-5-3-6-10-18)31-24-28-27-22(29(24)25)19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19,21H,4,7-8,11-12,25H2,1-2H3,(H,26,30)