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

Systemtic Name: 4-bromanyl-2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]-1H-pyrazol-2-ium-3-carboxamide Openeye Name: 4-bromo-2-methyl-N-[(2-methyl-8-quinolyl)carbamothioyl]-1H-pyrazol-2-ium-3-carboxamide CAS Name: 4-bromo-2-methyl-N-[[(2-methyl-8-quinolinyl)amino]-sulfanylidenemethyl]-1H-pyrazol-2-ium-3-carboxamide IUPAC Name: 4-bromo-2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]-1H-pyrazol-2-ium-3-carboxamide Traditional Name: 4-bromo-2-methyl-N-[(2-methyl-8-quinolyl)thiocarbamoyl]-1H-pyrazol-2-ium-3-carboxamide Formula: C16H15BrN5OS+ MolecularWeight: 405.2922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=[N+](NC=C3Br)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC(=S)NC(=O)C3=[N+](NC=C3Br)C)C=C1

InChI

InChI=1S/C16H14BrN5OS/c1-9-6-7-10-4-3-5-12(13(10)19-9)20-16(24)21-15(23)14-11(17)8-18-22(14)2/h3-8H,1-2H3,(H2,20,21,23,24)/p+1