(4-isothiocyanatophenyl) 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate

Systemtic Name: (4-isothiocyanatophenyl) 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate Openeye Name: (4-isothiocyanatophenyl) 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate CAS Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate Traditional Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylic acid (4-isothiocyanatophenyl) ester Formula: C14H7NO2S5 MolecularWeight: 381.53588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)OC(=O)C2=CSC(=C3SC=CS3)S2

Isomeric SMILES

C1=CC(=CC=C1N=C=S)OC(=O)C2=CSC(=C3SC=CS3)S2

InChI

InChI=1S/C14H7NO2S5/c16-12(17-10-3-1-9(2-4-10)15-8-18)11-7-21-14(22-11)13-19-5-6-20-13/h1-7H