N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(4-propoxyphenyl)methanimine

Systemtic Name: N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(4-propoxyphenyl)methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-propoxyphenyl)methanimine CAS Name: N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-(4-propoxyphenyl)methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-propoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(4-propoxybenzylidene)amine Formula: C19H20N4OS MolecularWeight: 352.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS/c1-2-12-24-18-10-8-16(9-11-18)13-21-23-15-20-22-19(23)25-14-17-6-4-3-5-7-17/h3-11,13,15H,2,12,14H2,1H3/b21-13+