1-methyl-4-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-2-one

Systemtic Name: 1-methyl-4-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-2-one Openeye Name: 1-methyl-4-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-quinazolin-2-one CAS Name: 1-methyl-4-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-2-quinazolinone IUPAC Name: 1-methyl-4-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylquinazolin-2-one Traditional Name: 4-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1-methyl-quinazolin-2-one Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC1=O)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC1=O)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4S/c1-19-14-5-3-2-4-13(14)16(18-17(19)22)25-10-15(21)11-6-8-12(9-7-11)20(23)24/h2-9H,10H2,1H3