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

Systemtic Name: N-[5-(cyanomethylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Openeye Name: N-[5-(cyanomethylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide CAS Name: N-[5-(cyanomethylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide IUPAC Name: N-[5-(cyanomethylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide Traditional Name: N-[5-(cyanomethylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Formula: C12H10N4O3S2 MolecularWeight: 322.3628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O3S2/c1-8-2-4-9(5-3-8)10(17)14-11-15-16-12(20-11)21(18,19)7-6-13/h2-5H,7H2,1H3,(H,14,15,17)