3-ethyl-N-(4-methyl-3-nitro-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-(4-methyl-3-nitro-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-(4-methyl-3-nitro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-(4-methyl-3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-(4-methyl-3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C18H16N4O4S/c1-3-21-17(24)13-7-5-11(8-14(13)20-18(21)27)16(23)19-12-6-4-10(2)15(9-12)22(25)26/h4-9H,3H2,1-2H3,(H,19,23)(H,20,27)