4-iodanyl-2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]-1H-pyrazol-2-ium-5-carboxamide

Systemtic Name: 4-iodanyl-2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]-1H-pyrazol-2-ium-5-carboxamide Openeye Name: 4-iodo-2-methyl-N-[(2-methyl-8-quinolyl)carbamothioyl]-1H-pyrazol-2-ium-5-carboxamide CAS Name: 4-iodo-2-methyl-N-[[(2-methyl-8-quinolinyl)amino]-sulfanylidenemethyl]-1H-pyrazol-2-ium-5-carboxamide IUPAC Name: 4-iodo-2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]-1H-pyrazol-2-ium-5-carboxamide Traditional Name: 4-iodo-2-methyl-N-[(2-methyl-8-quinolyl)thiocarbamoyl]-1H-pyrazol-2-ium-5-carboxamide Formula: C16H15IN5OS+ MolecularWeight: 452.29267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=C(C=[N+](N3)C)I)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=C(C=[N+](N3)C)I)C=C1

InChI

InChI=1S/C16H14IN5OS/c1-9-6-7-10-4-3-5-12(13(10)18-9)19-16(24)20-15(23)14-11(17)8-22(2)21-14/h3-8H,1-2H3,(H2,19,20,23,24)/p+1