methyl (2E)-2-(2-phenylsulfanylethylidene)-1-pyridin-3-yl-cyclohexane-1-carbodithioate

Systemtic Name: methyl (2E)-2-(2-phenylsulfanylethylidene)-1-pyridin-3-yl-cyclohexane-1-carbodithioate Openeye Name: methyl (2E)-2-(2-phenylsulfanylethylidene)-1-(3-pyridyl)cyclohexanecarbodithioate CAS Name: (2E)-2-[2-(phenylthio)ethylidene]-1-(3-pyridinyl)-1-cyclohexanecarbodithioic acid methyl ester IUPAC Name: methyl (2E)-2-(2-phenylsulfanylethylidene)-1-pyridin-3-ylcyclohexane-1-carbodithioate Traditional Name: (2E)-2-[2-(phenylthio)ethylidene]-1-(3-pyridyl)cyclohexanecarbodithioic acid methyl ester Formula: C21H23NS3 MolecularWeight: 385.60902

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1(CCCCC1=CCSC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CSC(=S)C\1(CCCC/C1=C\CSC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H23NS3/c1-24-20(23)21(18-9-7-14-22-16-18)13-6-5-8-17(21)12-15-25-19-10-3-2-4-11-19/h2-4,7,9-12,14,16H,5-6,8,13,15H2,1H3/b17-12+