2-[(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-6-yl-benzamide

Systemtic Name: 2-[(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-6-yl-benzamide Openeye Name: 2-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-(6-quinolyl)benzamide CAS Name: 2-[(5-chloro-1-methyl-3-phenyl-4-pyrazolyl)methylthio]-N-(6-quinolinyl)benzamide IUPAC Name: 2-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylsulfanyl]-N-quinolin-6-ylbenzamide Traditional Name: 2-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methylthio]-N-(6-quinolyl)benzamide Formula: C27H21ClN4OS MolecularWeight: 484.99984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)N=CC=C5)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)N=CC=C5)Cl

InChI

InChI=1S/C27H21ClN4OS/c1-32-26(28)22(25(31-32)18-8-3-2-4-9-18)17-34-24-12-6-5-11-21(24)27(33)30-20-13-14-23-19(16-20)10-7-15-29-23/h2-16H,17H2,1H3,(H,30,33)