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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6OS/c20-12-7-13-24(16-10-5-2-6-11-16)17(26)14-27-19-23-22-18(25(19)21)15-8-3-1-4-9-15/h2,5-6,10-11,15H,1,3-4,7-9,13-14,21H2