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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S3/c1-12-8-9-14(10-15(12)27(2,23)24)16(22)19-17-20-21-18(26-17)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,20,22)