2-azanyl-4-methylsulfanyl-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-methylsulfanyl-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-methylsulfanyl-6-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(methylthio)-6-[[2-(3-nitrophenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-methylsulfanyl-6-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-4-(methylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C16H12N5O3S2+ MolecularWeight: 386.42818

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

CSC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C16H11N5O3S2/c1-25-14-11(6-17)15(19)20-16(12(14)7-18)26-8-13(22)9-3-2-4-10(5-9)21(23)24/h2-5H,8H2,1H3,(H2,19,20)/p+1