3-[4-(3-chlorophenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(3-chlorophenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(3-chlorophenyl)-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(3-chlorophenyl)-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(3-chlorophenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(3-chlorophenyl)-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C20H22ClN5S MolecularWeight: 399.94018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)CCSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C20H22ClN5S/c21-17-7-4-8-18(14-17)26-19(16-6-5-9-22-15-16)23-24-20(26)27-13-12-25-10-2-1-3-11-25/h4-9,14-15H,1-3,10-13H2