4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

Systemtic Name: 4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one Openeye Name: 4-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one CAS Name: 4-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-1H-quinazolin-2-one IUPAC Name: 4-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one Traditional Name: 4-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-5,6,7,8-tetrahydro-1H-quinazolin-2-one Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c20-14(10-4-3-5-11(8-10)19(22)23)9-24-15-12-6-1-2-7-13(12)17-16(21)18-15/h3-5,8H,1-2,6-7,9H2,(H,17,18,21)