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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C20H19N5OS2 MolecularWeight: 409.52776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H19N5OS2/c21-11-5-12-24(15-6-2-1-3-7-15)18(26)14-28-20-23-22-19(17-8-4-13-27-17)25(20)16-9-10-16/h1-4,6-8,13,16H,5,9-10,12,14H2