2-methyl-6-[[prop-2-ynyl-[3-(trifluoromethyl)phenyl]amino]methyl]-1H-quinazoline-4-thione

Systemtic Name: 2-methyl-6-[[prop-2-ynyl-[3-(trifluoromethyl)phenyl]amino]methyl]-1H-quinazoline-4-thione Openeye Name: 2-methyl-6-[[N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazoline-4-thione CAS Name: 2-methyl-6-[[N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazoline-4-thione IUPAC Name: 2-methyl-6-[[N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazoline-4-thione Traditional Name: 2-methyl-6-[[N-propargyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazoline-4-thione Formula: C20H16F3N3S MolecularWeight: 387.42135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=S)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=NC(=S)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3S/c1-3-9-26(16-6-4-5-15(11-16)20(21,22)23)12-14-7-8-18-17(10-14)19(27)25-13(2)24-18/h1,4-8,10-11H,9,12H2,2H3,(H,24,25,27)