1-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Systemtic Name: 1-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]-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-[(E)-3-phenylprop-2-enyl]piperazine IUPAC Name: 1-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Traditional Name: 1-[(E)-cinnamyl]-4-[3-[[3-methyl-2-[(2-pyridylthio)methyl]-4-pyridyl]thio]propyl]piperazine Formula: C28H34N4S2 MolecularWeight: 490.72636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4S2/c1-24-26(23-34-28-12-5-6-14-30-28)29-15-13-27(24)33-22-8-17-32-20-18-31(19-21-32)16-7-11-25-9-3-2-4-10-25/h2-7,9-15H,8,16-23H2,1H3/b11-7+