2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1H-quinazolin-4-one Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O4S/c20-14(10-4-3-5-11(8-10)19(22)23)9-24-16-17-13-7-2-1-6-12(13)15(21)18-16/h1-8H,9H2,(H,17,18,21)