2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C20H20N5O2S+ MolecularWeight: 394.4701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C20H19N5O2S/c1-13-18(19(27)25(24(13)2)14-8-4-3-5-9-14)23-17(26)12-28-20-21-15-10-6-7-11-16(15)22-20/h3-11H,12H2,1-2H3,(H,21,22)(H,23,26)/p+1