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

Systemtic Name: (4-bromophenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (4-bromophenyl)methyl 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid (4-bromobenzyl) ester Formula: C17H13BrN2O2S3 MolecularWeight: 453.39632

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O2S3/c1-24-16-19-20(17(23)25-16)14-8-4-12(5-9-14)15(21)22-10-11-2-6-13(18)7-3-11/h2-9H,10H2,1H3