N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C28H24N4OS MolecularWeight: 464.58136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4OS/c1-19-12-14-21(15-13-19)25-17-26(32(31-25)22-8-4-3-5-9-22)30-27(33)18-34-28-16-20(2)23-10-6-7-11-24(23)29-28/h3-17H,18H2,1-2H3,(H,30,33)