N-methyl-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline

Systemtic Name: N-methyl-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline Openeye Name: N-methyl-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline CAS Name: N-methyl-4-[5-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1-pyrazolyl]aniline IUPAC Name: N-methyl-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline Traditional Name: methyl-[4-[5-[4-(methylthio)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]amine Formula: C18H16F3N3S MolecularWeight: 363.39995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)SC

Isomeric SMILES

CNC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H16F3N3S/c1-22-13-5-7-14(8-6-13)24-16(11-17(23-24)18(19,20)21)12-3-9-15(25-2)10-4-12/h3-11,22H,1-2H3