N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide

Systemtic Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide Openeye Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-1-oxido-pyridin-1-ium-3-carbohydrazide CAS Name: N'-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-oxido-3-pyridin-1-iumcarbohydrazide IUPAC Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-1-oxidopyridin-1-ium-3-carbohydrazide Traditional Name: N'-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]-1-oxido-pyridin-1-ium-3-carbohydrazide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)NNC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)NNC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C21H17N5O3S/c27-19(24-25-20(28)16-4-3-11-26(29)12-16)15-9-7-14(8-10-15)13-30-21-22-17-5-1-2-6-18(17)23-21/h1-12H,13H2,(H,22,23)(H,24,27)(H,25,28)