2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyridin-1-ium

Systemtic Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyridin-1-ium Openeye Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyridin-1-ium CAS Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]pyridin-1-ium IUPAC Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyridin-1-ium Traditional Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]pyridin-1-ium Formula: C9H9N4O2S+ MolecularWeight: 237.25836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SC2=CC=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SC2=CC=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O2S/c1-6-8(13(14)15)9(12-11-6)16-7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12)/p+1