methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-(3-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-(3-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-(3-nitroanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(3-nitroanilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-19(11-13-6-8-16(24-2)9-7-13)12-17(21)18-14-4-3-5-15(10-14)20(22)23/h3-10H,11-12H2,1-2H3,(H,18,21)/p+1