methyl 4-(5-sulfanylidene-2H-1,2,4-thiadiazol-3-yl)benzoate

Systemtic Name: methyl 4-(5-sulfanylidene-2H-1,2,4-thiadiazol-3-yl)benzoate Openeye Name: methyl 4-(5-thioxo-2H-1,2,4-thiadiazol-3-yl)benzoate CAS Name: 4-(5-sulfanylidene-2H-1,2,4-thiadiazol-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-sulfanylidene-2H-1,2,4-thiadiazol-3-yl)benzoate Traditional Name: 4-(5-thioxo-2H-1,2,4-thiadiazol-3-yl)benzoic acid methyl ester Formula: C10H8N2O2S2 MolecularWeight: 252.31272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=S)SN2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=S)SN2

InChI

InChI=1S/C10H8N2O2S2/c1-14-9(13)7-4-2-6(3-5-7)8-11-10(15)16-12-8/h2-5H,1H3,(H,11,12,15)