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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-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 (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 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-keto-1-methyl-2-phenyl-ethyl) ester Formula: C19H16N2O3S3 MolecularWeight: 416.53694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3S3/c1-12(16(22)13-6-4-3-5-7-13)24-17(23)14-8-10-15(11-9-14)21-19(25)27-18(20-21)26-2/h3-12H,1-2H3