2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-phenyl-ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-phenyl-acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-phenylacetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-phenylacetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-phenyl-acetamide Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

InChI

InChI=1S/C12H12N6OS/c13-6-7-20-12-17-16-11(14)18(12)8-10(19)15-9-4-2-1-3-5-9/h1-5H,7-8H2,(H2,14,16)(H,15,19)