2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(6-chloro-4-oxo-1H-quinazolin-2-yl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(6-chloro-4-keto-1H-quinazolin-2-yl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C24H14ClF3N4O2S MolecularWeight: 514.90677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C24H14ClF3N4O2S/c25-14-8-9-19-17(11-14)21(33)31-23(30-19)35-12-20-29-18-7-2-1-6-16(18)22(34)32(20)15-5-3-4-13(10-15)24(26,27)28/h1-11H,12H2,(H,30,31,33)