N-(2-cyanoethyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetamide Formula: C13H12N4OS3 MolecularWeight: 336.45558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC(=O)NCCC#N

InChI

InChI=1S/C13H12N4OS3/c14-7-4-8-15-11(18)9-20-12-16-17(13(19)21-12)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,15,18)