4-iodanyl-1-methyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-1-methyl-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-pyrazole-3-carboxamide Openeye Name: 4-iodo-1-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)pyrazole-3-carboxamide CAS Name: 4-iodo-1-methyl-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-1-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)pyrazole-3-carboxamide Traditional Name: 4-iodo-1-methyl-N-(4-methylpiperazin-4-ium-1-carbothioyl)pyrazole-3-carboxamide Formula: C11H17IN5OS+ MolecularWeight: 394.25505

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=NN(C=C2I)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=NN(C=C2I)C

InChI

InChI=1S/C11H16IN5OS/c1-15-3-5-17(6-4-15)11(19)13-10(18)9-8(12)7-16(2)14-9/h7H,3-6H2,1-2H3,(H,13,18,19)/p+1