N-(cyanomethyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-acetamide Formula: C13H13N5OS2 MolecularWeight: 319.40522

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CNC1=NN=C(S1)SCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H13N5OS2/c1-15-12-16-17-13(21-12)20-9-11(19)18(8-7-14)10-5-3-2-4-6-10/h2-6H,8-9H2,1H3,(H,15,16)