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

Systemtic Name: N-(1-cyanocyclohexyl)-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-cyanocyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-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-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3)C4(CCCCC4)C#N

InChI

InChI=1S/C22H27N5OS/c1-26(22(16-23)12-6-3-7-13-22)19(28)15-29-21-25-24-20(18-10-11-18)27(21)14-17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3