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

Systemtic Name: methyl 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C17H13ClN2O2S3 MolecularWeight: 408.94532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O2S3/c1-22-15(21)12-4-2-11(3-5-12)10-24-16-19-20(17(23)25-16)14-8-6-13(18)7-9-14/h2-9H,10H2,1H3