N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C27H23N5O2S MolecularWeight: 481.56882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2S/c1-19-15-22(31-34-19)18-35-27-24(13-8-14-28-27)26(33)29-16-21-17-32(23-11-6-3-7-12-23)30-25(21)20-9-4-2-5-10-20/h2-15,17H,16,18H2,1H3,(H,29,33)