N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfonyl-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfonyl-benzamide CAS Name: N-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide Traditional Name: N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-mesyl-benzamide Formula: C17H14ClN3O3S3 MolecularWeight: 439.95936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O3S3/c1-27(23,24)14-5-3-2-4-13(14)15(22)19-16-20-21-17(26-16)25-10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,20,22)