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

Systemtic Name: 1-(4-methoxyphenyl)-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-(4-methoxyphenyl)methanimine CAS Name: 1-(4-methoxyphenyl)-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-(4-methoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-p-anisylidene-amine Formula: C18H15F3N4OS MolecularWeight: 392.39811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NN2C(=NN=C2SCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/N2C(=NN=C2SCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N4OS/c1-26-15-9-7-13(8-10-15)11-22-25-16(18(19,20)21)23-24-17(25)27-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b22-11+