[4-(2-pyridin-4-ylsulfanylethyl)phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate

Systemtic Name: [4-(2-pyridin-4-ylsulfanylethyl)phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate Openeye Name: [4-[2-(4-pyridylsulfanyl)ethyl]phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate CAS Name: 4-(1H-1,2,4-triazol-5-ylthio)-1-piperidinecarboxylic acid [4-[2-(pyridin-4-ylthio)ethyl]phenyl] ester IUPAC Name: [4-(2-pyridin-4-ylsulfanylethyl)phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-(1H-1,2,4-triazol-5-ylthio)piperidine-1-carboxylic acid [4-[2-(4-pyridylthio)ethyl]phenyl] ester Formula: C21H23N5O2S2 MolecularWeight: 441.56962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=NC=NN2)C(=O)OC3=CC=C(C=C3)CCSC4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1SC2=NC=NN2)C(=O)OC3=CC=C(C=C3)CCSC4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2S2/c27-21(26-12-7-19(8-13-26)30-20-23-15-24-25-20)28-17-3-1-16(2-4-17)9-14-29-18-5-10-22-11-6-18/h1-6,10-11,15,19H,7-9,12-14H2,(H,23,24,25)