1-[3-[2-methyl-6-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-(phenylmethyl)piperazine

Systemtic Name: 1-[3-[2-methyl-6-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[3-[[2-methyl-6-(4-pyridylsulfanylmethyl)-4-pyridyl]sulfanyl]propyl]piperazine CAS Name: 1-[3-[[2-methyl-6-[(pyridin-4-ylthio)methyl]-4-pyridinyl]thio]propyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[3-[2-methyl-6-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]piperazine Traditional Name: 1-benzyl-4-[3-[[2-methyl-6-[(4-pyridylthio)methyl]-4-pyridyl]thio]propyl]piperazine Formula: C26H32N4S2 MolecularWeight: 464.68908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)SCCCN2CCN(CC2)CC3=CC=CC=C3)CSC4=CC=NC=C4

Isomeric SMILES

CC1=NC(=CC(=C1)SCCCN2CCN(CC2)CC3=CC=CC=C3)CSC4=CC=NC=C4

InChI

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