3-azanyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-azanyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-amino-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-amino-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-amino-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-amino-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]quinazolin-4-one Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H12N4O4S/c17-19-15(22)12-3-1-2-4-13(12)18-16(19)25-9-14(21)10-5-7-11(8-6-10)20(23)24/h1-8H,9,17H2