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

Systemtic Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5OS/c1-21(11-5-10-18)15(23)12-24-17-19-16(13-8-9-13)22(20-17)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-9,11-12H2,1H3