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

Systemtic Name: 4-methyl-N-[5-(2-oxidanylidenepropylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-acetonylsulfonyl-1,3,4-thiadiazol-2-yl)-4-methyl-benzamide CAS Name: 4-methyl-N-[5-(2-oxopropylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methyl-N-[5-(2-oxopropylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-(5-acetonylsulfonyl-1,3,4-thiadiazol-2-yl)-4-methyl-benzamide Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S2/c1-8-3-5-10(6-4-8)11(18)14-12-15-16-13(21-12)22(19,20)7-9(2)17/h3-6H,7H2,1-2H3,(H,14,15,18)