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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)methanimine CAS Name: 1-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-veratrylidene-amine Formula: C19H17F3N4O2S MolecularWeight: 422.42409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4O2S/c1-27-15-9-8-14(10-16(15)28-2)11-23-26-17(19(20,21)22)24-25-18(26)29-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/b23-11+