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

Systemtic Name: 1-(3-methoxy-4-propoxy-phenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Openeye Name: 1-(3-methoxy-4-propoxy-phenyl)-N-[3-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine CAS Name: 1-(3-methoxy-4-propoxyphenyl)-N-[3-[(4-methylphenyl)methylthio]-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(3-methoxy-4-propoxyphenyl)-N-[3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine Traditional Name: (E)-(3-methoxy-4-propoxy-benzylidene)-[3-[(4-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=NN2C=NN=C2SCC3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=N/N2C=NN=C2SCC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C21H24N4O2S/c1-4-11-27-19-10-9-18(12-20(19)26-3)13-23-25-15-22-24-21(25)28-14-17-7-5-16(2)6-8-17/h5-10,12-13,15H,4,11,14H2,1-3H3/b23-13+