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

Systemtic Name: (3S,4R)-4-(4-bromophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3S,4R)-4-(4-bromophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-2-thioxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3S,4R)-4-(4-bromophenyl)-6-mercapto-3-(1-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3S,4R)-4-(4-bromophenyl)-3-pyridin-1-ium-1-yl-6-sulfanyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3S,4R)-4-(4-bromophenyl)-6-mercapto-3-pyridin-1-ium-1-yl-2-thioxo-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H13BrN3S2+ MolecularWeight: 403.33922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3S2/c18-12-6-4-11(5-7-12)14-13(10-19)16(22)20-17(23)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)/p+1/t14-,15+/m1/s1