3-(4-nitrophenyl)-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one Openeye Name: 2-acetonylsulfanyl-3-(4-nitrophenyl)quinazolin-4-one CAS Name: 3-(4-nitrophenyl)-2-(2-oxopropylthio)-4-quinazolinone IUPAC Name: 3-(4-nitrophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one Traditional Name: 2-(acetonylthio)-3-(4-nitrophenyl)quinazolin-4-one Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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