2-azanyl-6-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C14H13N6OS+ MolecularWeight: 313.35762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

InChI

InChI=1S/C14H12N6OS/c1-8-3-9(2)20(19-8)12(21)7-22-14-11(6-16)4-10(5-15)13(17)18-14/h3-4H,7H2,1-2H3,(H2,17,18)/p+1