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

Systemtic Name: N-(2-methylquinolin-6-yl)-3-[(3-phenylazanyl-1H-pyrazol-5-yl)methylsulfanyl]benzamide Openeye Name: 3-[(3-anilino-1H-pyrazol-5-yl)methylsulfanyl]-N-(2-methyl-6-quinolyl)benzamide CAS Name: 3-[(3-anilino-1H-pyrazol-5-yl)methylthio]-N-(2-methyl-6-quinolinyl)benzamide IUPAC Name: 3-[(3-anilino-1H-pyrazol-5-yl)methylsulfanyl]-N-(2-methylquinolin-6-yl)benzamide Traditional Name: 3-[(3-anilino-1H-pyrazol-5-yl)methylthio]-N-(2-methyl-6-quinolyl)benzamide Formula: C27H23N5OS MolecularWeight: 465.56942

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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)NC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)SCC4=CC(=NN4)NC5=CC=CC=C5

InChI

InChI=1S/C27H23N5OS/c1-18-10-11-19-14-22(12-13-25(19)28-18)30-27(33)20-6-5-9-24(15-20)34-17-23-16-26(32-31-23)29-21-7-3-2-4-8-21/h2-16H,17H2,1H3,(H,30,33)(H2,29,31,32)