(4-oxidanylidene-4-phenyl-butyl) 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (4-oxo-4-phenyl-butyl) 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-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 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-keto-4-phenyl-butyl) ester Formula: C20H18N2O3S3 MolecularWeight: 430.56352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S3/c1-27-19-21-22(20(26)28-19)16-11-9-15(10-12-16)18(24)25-13-5-8-17(23)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3