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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C18H22N6OS MolecularWeight: 370.47188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H22N6OS/c19-11-12-23(15-9-5-2-6-10-15)16(25)13-26-18-22-21-17(24(18)20)14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,12-13,20H2