4-[5-[(2-phenoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(2-phenoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(2-phenoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(2-phenoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[(2-phenoxybenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C23H20N4OS MolecularWeight: 400.4961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H20N4OS/c1-2-16-27-22(18-12-14-24-15-13-18)25-26-23(27)29-17-19-8-6-7-11-21(19)28-20-9-4-3-5-10-20/h2-15H,1,16-17H2