1-(4-butoxy-3-methoxy-phenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(4-butoxy-3-methoxy-phenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Openeye Name: 1-(4-butoxy-3-methoxy-phenyl)-N-[3-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine CAS Name: 1-(4-butoxy-3-methoxyphenyl)-N-[3-[(4-methylphenyl)methylthio]-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(4-butoxy-3-methoxyphenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Traditional Name: (E)-(4-butoxy-3-methoxy-benzylidene)-[3-[(4-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NN2C=NN=C2SCC3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C22H26N4O2S/c1-4-5-12-28-20-11-10-19(13-21(20)27-3)14-24-26-16-23-25-22(26)29-15-18-8-6-17(2)7-9-18/h6-11,13-14,16H,4-5,12,15H2,1-3H3/b24-14+