N-[5-(phenylmethyl)sulfonyl-1H-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-[5-(phenylmethyl)sulfonyl-1H-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(5-benzylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide CAS Name: N-[5-(phenylmethyl)sulfonyl-1H-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(5-benzylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide Traditional Name: N-(5-benzylsulfonyl-1H-1,2,4-triazol-3-yl)acetamide Formula: C11H12N4O3S MolecularWeight: 280.30298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NNC(=N1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NNC(=N1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H12N4O3S/c1-8(16)12-10-13-11(15-14-10)19(17,18)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,14,15,16)