(3R,4S)-4-(2,4-dinitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (3R,4S)-4-(2,4-dinitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4S)-4-(2,4-dinitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-2-thioxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4S)-4-(2,4-dinitrophenyl)-6-mercapto-3-(1-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4S)-4-(2,4-dinitrophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4S)-4-(2,4-dinitrophenyl)-6-mercapto-3-pyridin-1-ium-1-yl-2-thioxo-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H12N5O4S2+ MolecularWeight: 414.43828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(=C(NC2=S)S)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)[C@@H]2[C@H](C(=C(NC2=S)S)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O4S2/c18-9-12-14(11-5-4-10(21(23)24)8-13(11)22(25)26)15(17(28)19-16(12)27)20-6-2-1-3-7-20/h1-8,14-15H,(H-,19,27,28)/p+1/t14-,15+/m0/s1