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

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-p-phenetyl-acetamide Formula: C14H16N6O2S MolecularWeight: 332.38084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

InChI

InChI=1S/C14H16N6O2S/c1-2-22-11-5-3-10(4-6-11)17-12(21)9-20-13(16)18-19-14(20)23-8-7-15/h3-6H,2,8-9H2,1H3,(H2,16,18)(H,17,21)