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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)acetamide Formula: C23H24N6OS MolecularWeight: 432.54126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H24N6OS/c24-17-23(11-5-2-6-12-23)26-20(30)16-31-22-28-27-21(19-9-13-25-14-10-19)29(22)15-18-7-3-1-4-8-18/h1,3-4,7-10,13-14H,2,5-6,11-12,15-16H2,(H,26,30)