2-(cyanomethylsulfanyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(cyanomethylsulfanyl)acetamide CAS Name: 2-(cyanomethylthio)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(cyanomethylsulfanyl)acetamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(cyanomethylthio)acetamide Formula: C13H12N4OS2 MolecularWeight: 304.39058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSCC#N

InChI

InChI=1S/C13H12N4OS2/c14-6-7-19-9-11(18)15-13-17-16-12(20-13)8-10-4-2-1-3-5-10/h1-5H,7-9H2,(H,15,17,18)