4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-methyl-2-phenyl-4H-pyrazol-3-one bromide

Systemtic Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-methyl-2-phenyl-4H-pyrazol-3-one bromide Openeye Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-methyl-2-phenyl-4H-pyrazol-3-one bromide CAS Name: 4-(1H-benzimidazol-3-ium-2-ylthio)-5-methyl-2-phenyl-4H-pyrazol-3-one bromide IUPAC Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-methyl-2-phenyl-4H-pyrazol-3-one bromide Traditional Name: 4-(1H-benzimidazol-3-ium-2-ylthio)-5-methyl-2-phenyl-2-pyrazolin-3-one bromide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=[NH+]C3=CC=CC=C3N2)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=NN(C(=O)C1SC2=[NH+]C3=CC=CC=C3N2)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C17H14N4OS.BrH/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)23-17-18-13-9-5-6-10-14(13)19-17;/h2-10,15H,1H3,(H,18,19);1H