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

Systemtic Name: 1-(4-ethoxy-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-ethoxy-3-methoxy-phenyl)methanimine CAS Name: 1-(4-ethoxy-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-ethoxy-3-methoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-(4-ethoxy-3-methoxy-benzylidene)amine Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NN2C(=NN=C2SCC3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/N2C(=NN=C2SCC3=CC=CC=C3)C)OC

InChI

InChI=1S/C20H22N4O2S/c1-4-26-18-11-10-17(12-19(18)25-3)13-21-24-15(2)22-23-20(24)27-14-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3/b21-13+