[3-(2-cyano-5-nonylsulfinyl-phenyl)-5-(3,5-dinitrophenyl)-4-sulfanylidene-pyridin-1-yl] ethanoate

Systemtic Name: [3-(2-cyano-5-nonylsulfinyl-phenyl)-5-(3,5-dinitrophenyl)-4-sulfanylidene-pyridin-1-yl] ethanoate Openeye Name: [3-(2-cyano-5-nonylsulfinyl-phenyl)-5-(3,5-dinitrophenyl)-4-thioxo-1-pyridyl] acetate CAS Name: acetic acid [3-(2-cyano-5-nonylsulfinylphenyl)-5-(3,5-dinitrophenyl)-4-sulfanylidene-1-pyridinyl] ester IUPAC Name: [3-(2-cyano-5-nonylsulfinylphenyl)-5-(3,5-dinitrophenyl)-4-sulfanylidenepyridin-1-yl] acetate Traditional Name: acetic acid [3-(2-cyano-5-nonylsulfinyl-phenyl)-5-(3,5-dinitrophenyl)-4-thioxo-1-pyridyl] ester Formula: C29H30N4O7S2 MolecularWeight: 610.7011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCS(=O)C1=CC(=C(C=C1)C#N)C2=CN(C=C(C2=S)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCCCCCCCCS(=O)C1=CC(=C(C=C1)C#N)C2=CN(C=C(C2=S)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C29H30N4O7S2/c1-3-4-5-6-7-8-9-12-42(39)25-11-10-21(17-30)26(16-25)28-19-31(40-20(2)34)18-27(29(28)41)22-13-23(32(35)36)15-24(14-22)33(37)38/h10-11,13-16,18-19H,3-9,12H2,1-2H3