[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 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-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 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-ethylphenyl)-2-keto-ethyl] ester Formula: C20H18N2O3S3 MolecularWeight: 430.56352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

InChI

InChI=1S/C20H18N2O3S3/c1-3-13-4-6-14(7-5-13)17(23)12-25-18(24)15-8-10-16(11-9-15)22-20(26)28-19(21-22)27-2/h4-11H,3,12H2,1-2H3