2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C19H18N5O2S+ MolecularWeight: 380.44352

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=NN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=NN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N5O2S/c1-23-15-10-6-5-9-14(15)20-19(23)27-12-17(25)21-16-11-18(26)24(22-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,22,25)/p+1