N-(3-methylphenyl)-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: N-(m-tolyl)-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: N-(3-methylphenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methylphenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(m-tolyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C23H16F3N3O2S MolecularWeight: 455.45225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H16F3N3O2S/c1-13-4-2-6-16(10-13)27-20(30)14-8-9-18-19(11-14)28-22(32)29(21(18)31)17-7-3-5-15(12-17)23(24,25)26/h2-12H,1H3,(H,27,30)(H,28,32)