N-(2-methylquinolin-6-yl)-3-[(3-phenyl-1H-pyrazol-5-yl)methylsulfanyl]benzamide

Systemtic Name: N-(2-methylquinolin-6-yl)-3-[(3-phenyl-1H-pyrazol-5-yl)methylsulfanyl]benzamide Openeye Name: N-(2-methyl-6-quinolyl)-3-[(3-phenyl-1H-pyrazol-5-yl)methylsulfanyl]benzamide CAS Name: N-(2-methyl-6-quinolinyl)-3-[(3-phenyl-1H-pyrazol-5-yl)methylthio]benzamide IUPAC Name: N-(2-methylquinolin-6-yl)-3-[(3-phenyl-1H-pyrazol-5-yl)methylsulfanyl]benzamide Traditional Name: N-(2-methyl-6-quinolyl)-3-[(3-phenyl-1H-pyrazol-5-yl)methylthio]benzamide Formula: C27H22N4OS MolecularWeight: 450.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)SCC4=CC(=NN4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)SCC4=CC(=NN4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4OS/c1-18-10-11-20-14-22(12-13-25(20)28-18)29-27(32)21-8-5-9-24(15-21)33-17-23-16-26(31-30-23)19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,29,32)(H,30,31)