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

Systemtic Name: 1-[3-methoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[3-methoxy-4-[2-(1-naphthylsulfanyl)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[3-methoxy-4-[2-(1-naphthalenylthio)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[3-methoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[3-methoxy-4-[2-(1-naphthylthio)ethoxy]benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C=NN=C2)OCCSC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2C=NN=C2)OCCSC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O2S/c1-27-21-13-17(14-25-26-15-23-24-16-26)9-10-20(21)28-11-12-29-22-8-4-6-18-5-2-3-7-19(18)22/h2-10,13-16H,11-12H2,1H3/b25-14+