3-(2-methylpropyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylpropyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one Openeye Name: 3-isobutyl-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-methylpropyl)-2-[[4-nitro-3-(trifluoromethyl)phenyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylpropyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanylquinazolin-4-one Traditional Name: 3-isobutyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]thio]quinazolin-4-one Formula: C19H16F3N3O3S MolecularWeight: 423.40885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H16F3N3O3S/c1-11(2)10-24-17(26)13-5-3-4-6-15(13)23-18(24)29-12-7-8-16(25(27)28)14(9-12)19(20,21)22/h3-9,11H,10H2,1-2H3