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

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)acetamide Formula: C14H16N6OS MolecularWeight: 316.38144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

InChI

InChI=1S/C14H16N6OS/c1-2-10-3-5-11(6-4-10)17-12(21)9-20-13(16)18-19-14(20)22-8-7-15/h3-6H,2,8-9H2,1H3,(H2,16,18)(H,17,21)