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

Systemtic Name: 2-methyl-5-[[[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-5-[[4-phenylsulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-5-[[4-(phenylthio)-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-5-[[4-phenylsulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-5-[[4-(phenylthio)-N-propargyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one Formula: C26H20F3N3OS MolecularWeight: 479.51671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(C=CC=C2N1)CN(CC#C)C3=CC(=C(C=C3)SC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=NC(=O)C2=C(C=CC=C2N1)CN(CC#C)C3=CC(=C(C=C3)SC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H20F3N3OS/c1-3-14-32(16-18-8-7-11-22-24(18)25(33)31-17(2)30-22)19-12-13-23(21(15-19)26(27,28)29)34-20-9-5-4-6-10-20/h1,4-13,15H,14,16H2,2H3,(H,30,31,33)