2-cyano-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-cyano-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-cyano-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-cyano-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-cyano-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-cyano-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C13H12N4OS2 MolecularWeight: 304.39058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CC#N

InChI

InChI=1S/C13H12N4OS2/c1-9-2-4-10(5-3-9)8-19-13-17-16-12(20-13)15-11(18)6-7-14/h2-5H,6,8H2,1H3,(H,15,16,18)