2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 3-isobutyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 3-isobutyl-2-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]quinazolin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-13(2)11-23-20(26)16-6-4-5-7-17(16)22-21(23)29-12-19(25)15-9-8-14(3)18(10-15)24(27)28/h4-10,13H,11-12H2,1-3H3