[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl] 4-(5-methylpyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [4-(1H-imidazol-2-ylsulfanylmethyl)phenyl] 4-(5-methylpyridin-2-yl)piperazine-1-carboxylate Openeye Name: [4-(1H-imidazol-2-ylsulfanylmethyl)phenyl] 4-(5-methyl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-methyl-2-pyridinyl)-1-piperazinecarboxylic acid [4-[(1H-imidazol-2-ylthio)methyl]phenyl] ester IUPAC Name: [4-(1H-imidazol-2-ylsulfanylmethyl)phenyl] 4-(5-methylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-methyl-2-pyridyl)piperazine-1-carboxylic acid [4-[(1H-imidazol-2-ylthio)methyl]phenyl] ester Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)CSC4=NC=CN4

Isomeric SMILES

CC1=CN=C(C=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)CSC4=NC=CN4

InChI

InChI=1S/C21H23N5O2S/c1-16-2-7-19(24-14-16)25-10-12-26(13-11-25)21(27)28-18-5-3-17(4-6-18)15-29-20-22-8-9-23-20/h2-9,14H,10-13,15H2,1H3,(H,22,23)