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

Systemtic Name: (2-oxidanylidenecyclohexyl) 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (2-oxocyclohexyl) 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-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 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-ketocyclohexyl) ester Formula: C16H16N2O3S3 MolecularWeight: 380.50484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OC3CCCCC3=O

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OC3CCCCC3=O

InChI

InChI=1S/C16H16N2O3S3/c1-23-15-17-18(16(22)24-15)11-8-6-10(7-9-11)14(20)21-13-5-3-2-4-12(13)19/h6-9,13H,2-5H2,1H3