3-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-thioxo-1H-quinazolin-4-one Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=O)C3=CC=CC=C3NC2=S)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNN2C(=O)C3=CC=CC=C3NC2=S)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O5S/c1-25-13-7-9(6-12(14(13)21)20(23)24)8-17-19-15(22)10-4-2-3-5-11(10)18-16(19)26/h2-8,17H,1H3,(H,18,26)