1-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-phenyl-piperazine hydrochloride

Systemtic Name: 1-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-phenyl-piperazine hydrochloride Openeye Name: 1-[3-[[3-methyl-2-(2-pyridylsulfanylmethyl)-4-pyridyl]sulfanyl]propyl]-4-phenyl-piperazine hydrochloride CAS Name: 1-[3-[[3-methyl-2-[(2-pyridinylthio)methyl]-4-pyridinyl]thio]propyl]-4-phenylpiperazine hydrochloride IUPAC Name: 1-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-phenylpiperazine hydrochloride Traditional Name: 1-[3-[[3-methyl-2-[(2-pyridylthio)methyl]-4-pyridyl]thio]propyl]-4-phenyl-piperazine hydrochloride Formula: C25H31ClN4S2 MolecularWeight: 487.12344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=CC=CC=N2)SCCCN3CCN(CC3)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C(C=CN=C1CSC2=CC=CC=N2)SCCCN3CCN(CC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H30N4S2.ClH/c1-21-23(20-31-25-10-5-6-12-27-25)26-13-11-24(21)30-19-7-14-28-15-17-29(18-16-28)22-8-3-2-4-9-22;/h2-6,8-13H,7,14-20H2,1H3;1H