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

Systemtic Name: 2-[(1-butyl-5-chloranyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-3-yl-benzamide Openeye Name: 2-[(1-butyl-5-chloro-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-(3-quinolyl)benzamide CAS Name: 2-[(1-butyl-5-chloro-3-phenyl-4-pyrazolyl)methylthio]-N-(3-quinolinyl)benzamide IUPAC Name: 2-[(1-butyl-5-chloro-3-phenylpyrazol-4-yl)methylsulfanyl]-N-quinolin-3-ylbenzamide Traditional Name: 2-[(1-butyl-5-chloro-3-phenyl-pyrazol-4-yl)methylthio]-N-(3-quinolyl)benzamide Formula: C30H27ClN4OS MolecularWeight: 527.07958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)Cl

InChI

InChI=1S/C30H27ClN4OS/c1-2-3-17-35-29(31)25(28(34-35)21-11-5-4-6-12-21)20-37-27-16-10-8-14-24(27)30(36)33-23-18-22-13-7-9-15-26(22)32-19-23/h4-16,18-19H,2-3,17,20H2,1H3,(H,33,36)