N-(2-methoxy-4-nitro-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H14N4O5S/c1-26-14-8-10(21(24)25)6-7-13(14)18-15(22)9-27-17-19-12-5-3-2-4-11(12)16(23)20-17/h2-8H,9H2,1H3,(H,18,22)(H,19,20,23)