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

Systemtic Name: 1-(3-methoxy-4-phenethyloxy-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-phenethyloxy-phenyl)methanimine CAS Name: 1-(3-methoxy-4-phenethyloxyphenyl)-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-phenethyloxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(3-methoxy-4-phenethyloxy-benzylidene)amine Formula: C25H24N4O2S MolecularWeight: 444.54866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C=NN=C2SCC3=CC=CC=C3)OCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2C=NN=C2SCC3=CC=CC=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-30-24-16-22(12-13-23(24)31-15-14-20-8-4-2-5-9-20)17-27-29-19-26-28-25(29)32-18-21-10-6-3-7-11-21/h2-13,16-17,19H,14-15,18H2,1H3/b27-17+