(4-diazonio-2,5-dimethoxy-phenyl)-methyl-phenyl-(2-sulfanylethanoyl)azanium

Systemtic Name: (4-diazonio-2,5-dimethoxy-phenyl)-methyl-phenyl-(2-sulfanylethanoyl)azanium Openeye Name: (4-diazonio-2,5-dimethoxy-phenyl)-methyl-phenyl-(2-sulfanylacetyl)ammonium CAS Name: (4-diazonio-2,5-dimethoxyphenyl)-(2-mercapto-1-oxoethyl)-methyl-phenylammonium IUPAC Name: (4-diazonio-2,5-dimethoxyphenyl)-methyl-phenyl-(2-sulfanylacetyl)azanium Traditional Name: (4-diazonio-2,5-dimethoxy-phenyl)-(2-mercaptoacetyl)-methyl-phenyl-ammonium Formula: C17H19N3O3S+2 MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=CC=C1)(C2=C(C=C(C(=C2)OC)[N+]#N)OC)C(=O)CS

Isomeric SMILES

C[N+](C1=CC=CC=C1)(C2=C(C=C(C(=C2)OC)[N+]#N)OC)C(=O)CS

InChI

InChI=1S/C17H18N3O3S/c1-20(17(21)11-24,12-7-5-4-6-8-12)14-10-15(22-2)13(19-18)9-16(14)23-3/h4-10H,11H2,1-3H3/q+1/p+1