5-cyano-4-(2,4-dinitrophenyl)-3-(3-methylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydropyridin-2-olate

Systemtic Name: 5-cyano-4-(2,4-dinitrophenyl)-3-(3-methylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydropyridin-2-olate Openeye Name: 5-cyano-4-(2,4-dinitrophenyl)-3-(3-methylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydropyridin-2-olate CAS Name: 5-cyano-4-(2,4-dinitrophenyl)-6-mercapto-3-(3-methyl-1-pyridin-1-iumyl)-3,4-dihydropyridin-2-olate IUPAC Name: 5-cyano-4-(2,4-dinitrophenyl)-3-(3-methylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydropyridin-2-olate Traditional Name: 5-cyano-4-(2,4-dinitrophenyl)-6-mercapto-3-(3-methylpyridin-1-ium-1-yl)-3,4-dihydropyridin-2-olate Formula: C18H13N5O5S MolecularWeight: 411.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(N=C2[O-])S)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2C(C(=C(N=C2[O-])S)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O5S/c1-10-3-2-6-21(9-10)16-15(13(8-19)18(29)20-17(16)24)12-5-4-11(22(25)26)7-14(12)23(27)28/h2-7,9,15-16H,1H3,(H-,20,24,29)