[4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate

Systemtic Name: [4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate Openeye Name: [4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate CAS Name: 4-(1-pyrazolyloxy)-1-piperidinecarboxylic acid [4-[2-(1H-imidazol-2-ylthio)ethyl]phenyl] ester IUPAC Name: [4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate Traditional Name: 4-pyrazol-1-yloxypiperidine-1-carboxylic acid [4-[2-(1H-imidazol-2-ylthio)ethyl]phenyl] ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1ON2C=CC=N2)C(=O)OC3=CC=C(C=C3)CCSC4=NC=CN4

Isomeric SMILES

C1CN(CCC1ON2C=CC=N2)C(=O)OC3=CC=C(C=C3)CCSC4=NC=CN4

InChI

InChI=1S/C20H23N5O3S/c26-20(24-13-6-18(7-14-24)28-25-12-1-9-23-25)27-17-4-2-16(3-5-17)8-15-29-19-21-10-11-22-19/h1-5,9-12,18H,6-8,13-15H2,(H,21,22)