1-(2-fluorophenyl)-N-[3-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(2-fluorophenyl)-N-[3-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-[3-benzylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-(2-fluorophenyl)methanimine CAS Name: 1-(2-fluorophenyl)-N-[3-(phenylmethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-[3-benzylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-(2-fluorophenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-(2-fluorobenzylidene)amine Formula: C17H12F4N4S MolecularWeight: 380.362593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2N=CC3=CC=CC=C3F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2/N=C/C3=CC=CC=C3F)C(F)(F)F

InChI

InChI=1S/C17H12F4N4S/c18-14-9-5-4-8-13(14)10-22-25-15(17(19,20)21)23-24-16(25)26-11-12-6-2-1-3-7-12/h1-10H,11H2/b22-10+