2-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)amino]pyridine-4-carbothioamide

Systemtic Name: 2-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)amino]pyridine-4-carbothioamide Openeye Name: 2-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)amino]pyridine-4-carbothioamide CAS Name: 2-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)amino]-4-pyridinecarbothioamide IUPAC Name: 2-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)amino]pyridine-4-carbothioamide Traditional Name: 2-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)amino]thioisonicotinamide Formula: C12H16N5S+ MolecularWeight: 262.35394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=CN1)NC2=NC=CC(=C2)C(=S)N

Isomeric SMILES

CC(C)[N+]1=C(C=CN1)NC2=NC=CC(=C2)C(=S)N

InChI

InChI=1S/C12H15N5S/c1-8(2)17-11(4-6-15-17)16-10-7-9(12(13)18)3-5-14-10/h3-8H,1-2H3,(H3,13,14,15,16,18)/p+1