(phenylmethyl) 3-(1-sulfanyl-2-sulfanylidene-ethylidene)-4H-quinoxalin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(1-sulfanyl-2-sulfanylidene-ethylidene)-4H-quinoxalin-1-ium-1-carboxylate Openeye Name: benzyl 3-(1-sulfanyl-2-thioxo-ethylidene)-4H-quinoxalin-1-ium-1-carboxylate CAS Name: 3-(1-mercapto-2-sulfanylideneethylidene)-4H-quinoxalin-1-ium-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-sulfanyl-2-sulfanylideneethylidene)-4H-quinoxalin-1-ium-1-carboxylate Traditional Name: 3-(1-mercapto-2-thioxo-ethylidene)-4H-quinoxalin-1-ium-1-carboxylic acid benzyl ester Formula: C18H15N2O2S2+ MolecularWeight: 355.4539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)[N+]2=CC(=C(C=S)S)NC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[N+]2=CC(=C(C=S)S)NC3=CC=CC=C32

InChI

InChI=1S/C18H14N2O2S2/c21-18(22-11-13-6-2-1-3-7-13)20-10-15(17(24)12-23)19-14-8-4-5-9-16(14)20/h1-10,12,19H,11H2/p+1