2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]-1H-pyrazol-2-ium-3-carboxamide

Systemtic Name: 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]-1H-pyrazol-2-ium-3-carboxamide Openeye Name: 2-methyl-N-[(2-methyl-8-quinolyl)carbamothioyl]-1H-pyrazol-2-ium-3-carboxamide CAS Name: 2-methyl-N-[[(2-methyl-8-quinolinyl)amino]-sulfanylidenemethyl]-1H-pyrazol-2-ium-3-carboxamide IUPAC Name: 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]-1H-pyrazol-2-ium-3-carboxamide Traditional Name: 2-methyl-N-[(2-methyl-8-quinolyl)thiocarbamoyl]-1H-pyrazol-2-ium-3-carboxamide Formula: C16H16N5OS+ MolecularWeight: 326.39614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5OS/c1-10-6-7-11-4-3-5-12(14(11)18-10)19-16(23)20-15(22)13-8-9-17-21(13)2/h3-9H,1-2H3,(H2,19,20,22,23)/p+1