2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C17H12N4OS3 MolecularWeight: 384.49838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C17H12N4OS3/c22-15-12-8-4-5-9-13(12)18-14(19-15)10-24-16-20-21(17(23)25-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,22)