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

Systemtic Name: 4-[4-phenethyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-phenethyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-phenethyl-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-phenethyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-phenethyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H27N5S MolecularWeight: 393.54828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCN(CC1)CCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H27N5S/c1-3-7-19(8-4-1)11-16-27-21(20-9-12-23-13-10-20)24-25-22(27)28-18-17-26-14-5-2-6-15-26/h1,3-4,7-10,12-13H,2,5-6,11,14-18H2