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

Systemtic Name: 1-(3-methoxy-4-propoxy-phenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3-methoxy-4-propoxy-phenyl)methanimine CAS Name: 1-(3-methoxy-4-propoxyphenyl)-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3-methoxy-4-propoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(3-methoxy-4-propoxy-benzylidene)amine Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-3-11-26-18-10-9-17(12-19(18)25-2)13-22-24-15-21-23-20(24)27-14-16-7-5-4-6-8-16/h4-10,12-13,15H,3,11,14H2,1-2H3/b22-13+