2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide Formula: C25H20N4O2S MolecularWeight: 440.5169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CSC3=NC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CSC3=NC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S/c30-23(17-32-25-27-21-13-7-8-14-22(21)31-25)26-15-19-16-29(20-11-5-2-6-12-20)28-24(19)18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,26,30)