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

Systemtic Name: 5-[2-(4-methylphenyl)-3-(phenylsulfonyl)propyl]-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-[3-(benzenesulfonyl)-2-(p-tolyl)propyl]-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-[3-(benzenesulfonyl)-2-(4-methylphenyl)propyl]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[3-(benzenesulfonyl)-2-(4-methylphenyl)propyl]-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-[3-besyl-2-(p-tolyl)propyl]-3H-1,3,4-thiadiazole-2-thione Formula: C18H18N2O2S3 MolecularWeight: 390.54272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=NNC(=S)S2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC2=NNC(=S)S2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S3/c1-13-7-9-14(10-8-13)15(11-17-19-20-18(23)24-17)12-25(21,22)16-5-3-2-4-6-16/h2-10,15H,11-12H2,1H3,(H,20,23)