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

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(4-methylsulfanylphenyl)methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-methylsulfanylphenyl)methanimine CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-[4-(methylthio)phenyl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-methylsulfanylphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-[4-(methylthio)benzylidene]amine Formula: C18H18N4S2 MolecularWeight: 354.49232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC=C(C=C2)SC)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1/N=C/C2=CC=C(C=C2)SC)SCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4S2/c1-14-20-21-18(24-13-16-6-4-3-5-7-16)22(14)19-12-15-8-10-17(23-2)11-9-15/h3-12H,13H2,1-2H3/b19-12+