2-[3-octadecylsulfanyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]pyridine

Systemtic Name: 2-[3-octadecylsulfanyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]pyridine Openeye Name: 2-(3-benzyl-5-octadecylsulfanyl-1,2,4-triazol-4-yl)pyridine CAS Name: 2-[3-(octadecylthio)-5-(phenylmethyl)-1,2,4-triazol-4-yl]pyridine IUPAC Name: 2-(3-benzyl-5-octadecylsulfanyl-1,2,4-triazol-4-yl)pyridine Traditional Name: 2-[3-benzyl-5-(stearylthio)-1,2,4-triazol-4-yl]pyridine Formula: C32H48N4S MolecularWeight: 520.81532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C32H48N4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-37-32-35-34-31(28-29-23-18-17-19-24-29)36(32)30-25-20-21-26-33-30/h17-21,23-26H,2-16,22,27-28H2,1H3