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

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O3S/c1-22-9-3-4-10(11(7-9)23-2)17-12(21)8-20-13(16)18-19-14(20)24-6-5-15/h3-4,7H,6,8H2,1-2H3,(H2,16,18)(H,17,21)