methyl (2E)-2-[2-(4-nitrophenoxy)ethylidene]-1-pyridin-3-yl-cyclohexane-1-carbodithioate

Systemtic Name: methyl (2E)-2-[2-(4-nitrophenoxy)ethylidene]-1-pyridin-3-yl-cyclohexane-1-carbodithioate Openeye Name: methyl (2E)-2-[2-(4-nitrophenoxy)ethylidene]-1-(3-pyridyl)cyclohexanecarbodithioate CAS Name: (2E)-2-[2-(4-nitrophenoxy)ethylidene]-1-(3-pyridinyl)-1-cyclohexanecarbodithioic acid methyl ester IUPAC Name: methyl (2E)-2-[2-(4-nitrophenoxy)ethylidene]-1-pyridin-3-ylcyclohexane-1-carbodithioate Traditional Name: (2E)-2-[2-(4-nitrophenoxy)ethylidene]-1-(3-pyridyl)cyclohexanecarbodithioic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C1(CCCCC1=CCOC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CSC(=S)C\1(CCCC/C1=C\COC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C21H22N2O3S2/c1-28-20(27)21(17-6-4-13-22-15-17)12-3-2-5-16(21)11-14-26-19-9-7-18(8-10-19)23(24)25/h4,6-11,13,15H,2-3,5,12,14H2,1H3/b16-11+