(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-diphenyl-sulfanyl-azanium

Systemtic Name: (4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanethioyl)-diphenyl-sulfanyl-azanium Openeye Name: (4-methoxy-2-methoxycarbonyl-4-oxo-butanethioyl)-diphenyl-sulfanyl-ammonium CAS Name: mercapto-(4-methoxy-2-methoxycarbonyl-4-oxo-1-sulfanylidenebutyl)-diphenylammonium IUPAC Name: (4-methoxy-2-methoxycarbonyl-4-oxobutanethioyl)-diphenyl-sulfanylazanium Traditional Name: (2-carbomethoxy-4-keto-4-methoxy-butanethioyl)-mercapto-diphenyl-ammonium Formula: C19H20NO4S2+ MolecularWeight: 390.4964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=S)[N+](C1=CC=CC=C1)(C2=CC=CC=C2)S)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(=S)[N+](C1=CC=CC=C1)(C2=CC=CC=C2)S)C(=O)OC

InChI

InChI=1S/C19H20NO4S2/c1-23-17(21)13-16(19(22)24-2)18(25)20(26,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,26H,13H2,1-2H3/q+1