2-methyl-5-[[[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-methyl-5-[[[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-5-[[4-(o-tolylsulfanyl)-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-5-[[4-[(2-methylphenyl)thio]-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-5-[[4-(2-methylphenyl)sulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-5-[[4-(o-tolylthio)-N-propargyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one Formula: C27H22F3N3OS MolecularWeight: 493.54329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)N(CC#C)CC3=C4C(=CC=C3)NC(=NC4=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)N(CC#C)CC3=C4C(=CC=C3)NC(=NC4=O)C)C(F)(F)F

InChI

InChI=1S/C27H22F3N3OS/c1-4-14-33(16-19-9-7-10-22-25(19)26(34)32-18(3)31-22)20-12-13-24(21(15-20)27(28,29)30)35-23-11-6-5-8-17(23)2/h1,5-13,15H,14,16H2,2-3H3,(H,31,32,34)