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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C12H11N5OS2 MolecularWeight: 305.37864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5OS2/c13-6-7-17(9-4-2-1-3-5-9)10(18)8-19-12-16-15-11(14)20-12/h1-5H,7-8H2,(H2,14,15)