2-[3-[3-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[3-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[3-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[3-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[3-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-[3-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propyl]-1H-quinazolin-4-one Formula: C19H14N6O4S MolecularWeight: 422.41726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)N3C(=NNC3=S)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)N3C(=NNC3=S)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4S/c26-16(10-9-15-20-14-4-2-1-3-13(14)18(27)21-15)24-17(22-23-19(24)30)11-5-7-12(8-6-11)25(28)29/h1-8H,9-10H2,(H,23,30)(H,20,21,27)