1-methyl-4-[6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[[6-[(4-methylsulfanylphenyl)methylsulfanyl]-3-pyridyl]sulfonyl]piperazine CAS Name: 1-methyl-4-[[6-[[4-(methylthio)phenyl]methylthio]-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-methyl-4-[6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-methyl-4-[[6-[[4-(methylthio)benzyl]thio]-3-pyridyl]sulfonyl]piperazine Formula: C18H23N3O2S3 MolecularWeight: 409.58912

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)SC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H23N3O2S3/c1-20-9-11-21(12-10-20)26(22,23)17-7-8-18(19-13-17)25-14-15-3-5-16(24-2)6-4-15/h3-8,13H,9-12,14H2,1-2H3