3-(methylsulfonylmethyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-(methylsulfonylmethyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(methylsulfonylmethyl)benzamide CAS Name: 3-(methylsulfonylmethyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(methylsulfonylmethyl)benzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(mesylmethyl)benzamide Formula: C18H17N3O3S3 MolecularWeight: 419.54088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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