5-[2-(4-chlorophenyl)-3-(phenylsulfonyl)propyl]-3H-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[2-(4-chlorophenyl)-3-(phenylsulfonyl)propyl]-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-[3-(benzenesulfonyl)-2-(4-chlorophenyl)propyl]-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-[3-(benzenesulfonyl)-2-(4-chlorophenyl)propyl]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[3-(benzenesulfonyl)-2-(4-chlorophenyl)propyl]-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-[3-besyl-2-(4-chlorophenyl)propyl]-3H-1,3,4-thiadiazole-2-thione Formula: C17H15ClN2O2S3 MolecularWeight: 410.9612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(CC2=NNC(=S)S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(CC2=NNC(=S)S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O2S3/c18-14-8-6-12(7-9-14)13(10-16-19-20-17(23)24-16)11-25(21,22)15-4-2-1-3-5-15/h1-9,13H,10-11H2,(H,20,23)