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

Systemtic Name: N-(cyanomethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(cyanomethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(cyanomethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(cyanomethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(cyanomethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H15N5OS MolecularWeight: 349.4096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5OS/c19-11-12-22(15-7-3-1-4-8-15)17(24)13-25-18-21-20-14-23(18)16-9-5-2-6-10-16/h1-10,14H,12-13H2