4-[2-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]hydrazo]-4-oxobutanoate IUPAC Name: 4-[2-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]hydrazino]-4-keto-butyrate Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H14N4O4S/c18-10(5-6-12(20)21)16-17-11(19)7-22-13-14-8-3-1-2-4-9(8)15-13/h1-4H,5-7H2,(H,14,15)(H,16,18)(H,17,19)(H,20,21)