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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H25N5OS/c22-15-21(11-5-2-6-12-21)23-18(27)14-28-20-25-24-19(17-9-10-17)26(20)13-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-14H2,(H,23,27)