[4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-(5-methylpyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-(5-methylpyridin-2-yl)piperazine-1-carboxylate Openeye Name: [4-[2-(2-pyridylsulfanyl)ethyl]phenyl] 4-(5-methyl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-methyl-2-pyridinyl)-1-piperazinecarboxylic acid [4-[2-(2-pyridinylthio)ethyl]phenyl] ester IUPAC Name: [4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-(5-methylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-methyl-2-pyridyl)piperazine-1-carboxylic acid [4-[2-(2-pyridylthio)ethyl]phenyl] ester Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)CCSC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(C=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)CCSC4=CC=CC=N4

InChI

InChI=1S/C24H26N4O2S/c1-19-5-10-22(26-18-19)27-13-15-28(16-14-27)24(29)30-21-8-6-20(7-9-21)11-17-31-23-4-2-3-12-25-23/h2-10,12,18H,11,13-17H2,1H3