[4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenyl] 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenyl] 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate Openeye Name: [4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenyl] 4-(6-methyl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(6-methyl-2-pyridinyl)-1-piperazinecarboxylic acid [4-[2-[(1-methyl-2-imidazolyl)thio]ethyl]phenyl] ester IUPAC Name: [4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenyl] 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(6-methyl-2-pyridyl)piperazine-1-carboxylic acid [4-[2-[(1-methylimidazol-2-yl)thio]ethyl]phenyl] ester Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)CCSC4=NC=CN4C

Isomeric SMILES

CC1=NC(=CC=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)CCSC4=NC=CN4C

InChI

InChI=1S/C23H27N5O2S/c1-18-4-3-5-21(25-18)27-13-15-28(16-14-27)23(29)30-20-8-6-19(7-9-20)10-17-31-22-24-11-12-26(22)2/h3-9,11-12H,10,13-17H2,1-2H3