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

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)acetamide Formula: C13H14N6O2S MolecularWeight: 318.35426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

InChI

InChI=1S/C13H14N6O2S/c1-21-10-4-2-9(3-5-10)16-11(20)8-19-12(15)17-18-13(19)22-7-6-14/h2-5H,7-8H2,1H3,(H2,15,17)(H,16,20)