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

Systemtic Name: 1-(4-butoxy-3-methoxy-phenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-butoxy-3-methoxy-phenyl)methanimine CAS Name: 1-(4-butoxy-3-methoxyphenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-1-(4-butoxy-3-methoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(4-butoxy-3-methoxy-benzylidene)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=CC=C3)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-4-5-13-28-20-12-11-19(14-21(20)27-3)15-23-26-17(2)24-25-22(26)29-16-18-9-7-6-8-10-18/h6-12,14-15H,4-5,13,16H2,1-3H3/b23-15+