N-[(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)carbamothioyl]-4-(thiophen-2-ylsulfonylamino)benzamide

Systemtic Name: N-[(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)carbamothioyl]-4-(thiophen-2-ylsulfonylamino)benzamide Openeye Name: N-[[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]carbamothioyl]-4-(2-thienylsulfonylamino)benzamide CAS Name: N-[[[5-methyl-2-(2-pyridinyl)-1H-pyrazol-2-ium-3-yl]amino]-sulfanylidenemethyl]-4-(thiophen-2-ylsulfonylamino)benzamide IUPAC Name: N-[(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)carbamothioyl]-4-(thiophen-2-ylsulfonylamino)benzamide Traditional Name: N-[[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]thiocarbamoyl]-4-(2-thienylsulfonylamino)benzamide Formula: C21H19N6O3S3+ MolecularWeight: 499.60896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=S)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=S)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N6O3S3/c1-14-13-18(27(25-14)17-5-2-3-11-22-17)23-21(31)24-20(28)15-7-9-16(10-8-15)26-33(29,30)19-6-4-12-32-19/h2-13H,1H3,(H3,23,24,25,26,28,31)/p+1