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

Systemtic Name: 2-(2-methylpropylsulfanyl)-3-(4-nitrophenyl)quinazolin-4-one Openeye Name: 2-isobutylsulfanyl-3-(4-nitrophenyl)quinazolin-4-one CAS Name: 2-(2-methylpropylthio)-3-(4-nitrophenyl)-4-quinazolinone IUPAC Name: 2-(2-methylpropylsulfanyl)-3-(4-nitrophenyl)quinazolin-4-one Traditional Name: 2-(isobutylthio)-3-(4-nitrophenyl)quinazolin-4-one Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-12(2)11-25-18-19-16-6-4-3-5-15(16)17(22)20(18)13-7-9-14(10-8-13)21(23)24/h3-10,12H,11H2,1-2H3