2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N4O2S/c1-15-18(16(2)26(25-15)13-17-8-4-3-5-9-17)12-23-21(27)14-29-22-24-19-10-6-7-11-20(19)28-22/h3-11H,12-14H2,1-2H3,(H,23,27)