[4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [4-[2-(1H-imidazol-2-ylthio)ethyl]phenyl] ester IUPAC Name: [4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [4-[2-(1H-imidazol-2-ylthio)ethyl]phenyl] ester Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)OC3=CC=C(C=C3)CCSC4=NC=CN4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)OC3=CC=C(C=C3)CCSC4=NC=CN4

InChI

InChI=1S/C21H23N5O2S/c27-21(26-14-12-25(13-15-26)19-3-1-2-9-22-19)28-18-6-4-17(5-7-18)8-16-29-20-23-10-11-24-20/h1-7,9-11H,8,12-16H2,(H,23,24)