2-(4-methylphenyl)sulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(p-tolylsulfonyl)acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-tosyl-acetamide Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S3/c1-13-7-9-15(10-8-13)27(23,24)12-16(22)19-17-20-21-18(26-17)25-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,20,22)