oxidanylidene-[[propanoyl(2-sulfanylethyl)amino]methyl]-(2-sulfanylphenyl)azanium

Systemtic Name: oxidanylidene-[[propanoyl(2-sulfanylethyl)amino]methyl]-(2-sulfanylphenyl)azanium Openeye Name: oxo-[[propanoyl(2-sulfanylethyl)amino]methyl]-(2-sulfanylphenyl)ammonium CAS Name: [2-mercaptoethyl(1-oxopropyl)amino]methyl-(2-mercaptophenyl)-oxoammonium IUPAC Name: oxo-[[propanoyl(2-sulfanylethyl)amino]methyl]-(2-sulfanylphenyl)azanium Traditional Name: keto-[[2-mercaptoethyl(propionyl)amino]methyl]-(2-mercaptophenyl)ammonium Formula: C12H17N2O2S2+ MolecularWeight: 285.40558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCS)C[N+](=O)C1=CC=CC=C1S

Isomeric SMILES

CCC(=O)N(CCS)C[N+](=O)C1=CC=CC=C1S

InChI

InChI=1S/C12H16N2O2S2/c1-2-12(15)13(7-8-17)9-14(16)10-5-3-4-6-11(10)18/h3-6H,2,7-9H2,1H3,(H-,17,18)/p+1