2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclooctyl-ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]-N-cyclooctyl-acetamide Formula: C18H22ClN3OS3 MolecularWeight: 428.03478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3OS3/c19-13-8-10-15(11-9-13)22-18(24)26-17(21-22)25-12-16(23)20-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7,12H2,(H,20,23)