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

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)acetamide Formula: C25H22N5O2S+ MolecularWeight: 456.53948

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2S/c31-23(27-22-15-24(32)30(28-22)19-11-5-2-6-12-19)17-33-25-26-20-13-7-8-14-21(20)29(25)16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,27,28,31)/p+1