methyl 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C11H9ClN2O2S3 MolecularWeight: 332.84936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN(C(=S)S1)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CSC1=NN(C(=S)S1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H9ClN2O2S3/c1-16-9(15)6-18-10-13-14(11(17)19-10)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3