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

Systemtic Name: N-(4-acetamidophenyl)-2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]acetamide Formula: C14H15N7O2S MolecularWeight: 345.3796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC#N)N

InChI

InChI=1S/C14H15N7O2S/c1-9(22)17-10-2-4-11(5-3-10)18-12(23)8-21-13(16)19-20-14(21)24-7-6-15/h2-5H,7-8H2,1H3,(H2,16,19)(H,17,22)(H,18,23)