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

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)acetamide Formula: C16H19N7O4S2 MolecularWeight: 437.49656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCC#N)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCC#N)N

InChI

InChI=1S/C16H19N7O4S2/c17-5-10-28-16-21-20-15(18)23(16)11-14(24)19-12-1-3-13(4-2-12)29(25,26)22-6-8-27-9-7-22/h1-4H,6-11H2,(H2,18,20)(H,19,24)