N,N-dimethyl-4-[(E)-[3-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]iminomethyl]aniline

Systemtic Name: N,N-dimethyl-4-[(E)-[3-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]iminomethyl]aniline Openeye Name: 4-[(E)-[3-benzylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]iminomethyl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[(E)-[3-(phenylmethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]iminomethyl]aniline IUPAC Name: 4-[(E)-[3-benzylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]iminomethyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-[3-(benzylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]iminomethyl]phenyl]-dimethyl-amine Formula: C19H18F3N5S MolecularWeight: 405.43993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N5S/c1-26(2)16-10-8-14(9-11-16)12-23-27-17(19(20,21)22)24-25-18(27)28-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3/b23-12+