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

Systemtic Name: (2,4-dichlorophenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (2,4-dichlorophenyl)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 (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)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 (2,4-dichlorobenzyl) ester Formula: C17H12Cl2N2O2S3 MolecularWeight: 443.39038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N2O2S3/c1-25-16-20-21(17(24)26-16)13-6-3-10(4-7-13)15(22)23-9-11-2-5-12(18)8-14(11)19/h2-8H,9H2,1H3