methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]azanium

Systemtic Name: methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]azanium Openeye Name: methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[(5-nitro-2-oxo-1-pyridyl)methyl]ammonium CAS Name: methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[(5-nitro-2-oxo-1-pyridinyl)methyl]ammonium IUPAC Name: methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(5-nitro-2-oxopyridin-1-yl)methyl]azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-[(2-keto-5-nitro-1-pyridyl)methyl]-methyl-ammonium Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1SC)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1SC)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-18(11-19-9-12(20(23)24)7-8-16(19)22)10-15(21)17-13-5-3-4-6-14(13)25-2/h3-9H,10-11H2,1-2H3,(H,17,21)/p+1