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

Systemtic Name: 1-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[3-[[3-methyl-2-(2-pyridylsulfanylmethyl)-4-pyridyl]sulfanyl]propyl]piperazine CAS Name: 1-[3-[[3-methyl-2-[(2-pyridinylthio)methyl]-4-pyridinyl]thio]propyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]piperazine Traditional Name: 1-benzyl-4-[3-[[3-methyl-2-[(2-pyridylthio)methyl]-4-pyridyl]thio]propyl]piperazine Formula: C26H32N4S2 MolecularWeight: 464.68908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=CC=CC=N2)SCCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=CC=CC=N2)SCCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4S2/c1-22-24(21-32-26-10-5-6-12-28-26)27-13-11-25(22)31-19-7-14-29-15-17-30(18-16-29)20-23-8-3-2-4-9-23/h2-6,8-13H,7,14-21H2,1H3