N'-[2-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-ethanoyl]benzohydrazide

Systemtic Name: N'-[2-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-ethanoyl]benzohydrazide Openeye Name: N'-(2-benzylsulfanyl-2-pyridin-1-ium-1-yl-acetyl)benzohydrazide CAS Name: N'-[1-oxo-2-(phenylmethylthio)-2-(1-pyridin-1-iumyl)ethyl]benzohydrazide IUPAC Name: N'-(2-benzylsulfanyl-2-pyridin-1-ium-1-ylacetyl)benzohydrazide Traditional Name: N'-[2-(benzylthio)-2-pyridin-1-ium-1-yl-acetyl]benzohydrazide Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(C(=O)NNC(=O)C2=CC=CC=C2)[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(C(=O)NNC(=O)C2=CC=CC=C2)[N+]3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S/c25-19(18-12-6-2-7-13-18)22-23-20(26)21(24-14-8-3-9-15-24)27-16-17-10-4-1-5-11-17/h1-15,21H,16H2,(H-,22,23,25,26)/p+1