6-bromanyl-3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[(4-methoxy-3-nitrophenyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-(4-methoxy-3-nitrobenzoyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-1H-quinazolin-4-one Formula: C16H10BrN3O5S MolecularWeight: 436.2367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrN3O5S/c1-25-13-5-2-8(6-12(13)20(23)24)14(21)19-15(22)10-7-9(17)3-4-11(10)18-16(19)26/h2-7H,1H3,(H,18,26)