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

Systemtic Name: 3-(3-chlorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[4-nitro-3-(trifluoromethyl)phenyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[[4-nitro-3-(trifluoromethyl)phenyl]thio]quinazolin-4-one Formula: C21H11ClF3N3O3S MolecularWeight: 477.84355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H11ClF3N3O3S/c22-12-4-3-5-13(10-12)27-19(29)15-6-1-2-7-17(15)26-20(27)32-14-8-9-18(28(30)31)16(11-14)21(23,24)25/h1-11H