N-(1-cyano-4-methyl-cyclohexyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyano-4-methylcyclohexyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyano-4-methylcyclohexyl)-N-methylacetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H29N5OS/c1-17-10-12-23(16-24,13-11-17)27(2)20(29)15-30-22-26-25-21(19-8-9-19)28(22)14-18-6-4-3-5-7-18/h3-7,17,19H,8-15H2,1-2H3