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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [2-(1-adamantyl)-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-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-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-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H24N2O3S3 MolecularWeight: 460.63256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24N2O3S3/c1-29-20-23-24(21(28)30-20)17-4-2-16(3-5-17)19(26)27-12-18(25)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,13-15H,6-12H2,1H3