methyl 3-[[4-[2-(2-oxidanylidene-3-sulfanylidene-1H-pyrazol-2-ium-5-yl)phenyl]phenyl]methyl]-2-propyl-benzimidazole-4-carboxylate

Systemtic Name: methyl 3-[[4-[2-(2-oxidanylidene-3-sulfanylidene-1H-pyrazol-2-ium-5-yl)phenyl]phenyl]methyl]-2-propyl-benzimidazole-4-carboxylate Openeye Name: methyl 3-[[4-[2-(2-oxo-3-thioxo-1H-pyrazol-2-ium-5-yl)phenyl]phenyl]methyl]-2-propyl-benzimidazole-4-carboxylate CAS Name: 3-[[4-[2-(2-oxo-3-sulfanylidene-1H-pyrazol-2-ium-5-yl)phenyl]phenyl]methyl]-2-propyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(2-oxo-3-sulfanylidene-1H-pyrazol-2-ium-5-yl)phenyl]phenyl]methyl]-2-propylbenzimidazole-4-carboxylate Traditional Name: 3-[4-[2-(1-keto-5-thioxo-3-pyrazolin-1-ium-3-yl)phenyl]benzyl]-2-propyl-benzimidazole-4-carboxylic acid methyl ester Formula: C28H25N4O3S+ MolecularWeight: 497.5881

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=CC(=S)[N+](=O)N5)C(=O)OC

Isomeric SMILES

CCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=CC(=S)[N+](=O)N5)C(=O)OC

InChI

InChI=1S/C28H24N4O3S/c1-3-7-25-29-23-11-6-10-22(28(33)35-2)27(23)31(25)17-18-12-14-19(15-13-18)20-8-4-5-9-21(20)24-16-26(36)32(34)30-24/h4-6,8-16H,3,7,17H2,1-2H3/p+1