4-(2-methylphenyl)sulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)aniline

Systemtic Name: 4-(2-methylphenyl)sulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)aniline Openeye Name: 4-(o-tolylsulfanyl)-N-prop-2-ynyl-3-(trifluoromethyl)aniline CAS Name: 4-[(2-methylphenyl)thio]-N-prop-2-ynyl-3-(trifluoromethyl)aniline IUPAC Name: 4-(2-methylphenyl)sulfanyl-N-prop-2-ynyl-3-(trifluoromethyl)aniline Traditional Name: [4-(o-tolylthio)-3-(trifluoromethyl)phenyl]-propargyl-amine Formula: C17H14F3NS MolecularWeight: 321.35997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)NCC#C)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)NCC#C)C(F)(F)F

InChI

InChI=1S/C17H14F3NS/c1-3-10-21-13-8-9-16(14(11-13)17(18,19)20)22-15-7-5-4-6-12(15)2/h1,4-9,11,21H,10H2,2H3