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

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-chloranyl-4-methoxy-phenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxy-phenyl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxyphenyl)acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxy-phenyl)acetamide Formula: C13H13ClN6O2S MolecularWeight: 352.79932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN6O2S/c1-22-10-3-2-8(6-9(10)14)17-11(21)7-20-12(16)18-19-13(20)23-5-4-15/h2-3,6H,5,7H2,1H3,(H2,16,18)(H,17,21)