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

Systemtic Name: 2-[(5-chloranyl-1-ethyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-3-yl-benzamide Openeye Name: 2-[(5-chloro-1-ethyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-(3-quinolyl)benzamide CAS Name: 2-[(5-chloro-1-ethyl-3-phenyl-4-pyrazolyl)methylthio]-N-(3-quinolinyl)benzamide IUPAC Name: 2-[(5-chloro-1-ethyl-3-phenylpyrazol-4-yl)methylsulfanyl]-N-quinolin-3-ylbenzamide Traditional Name: 2-[(5-chloro-1-ethyl-3-phenyl-pyrazol-4-yl)methylthio]-N-(3-quinolyl)benzamide Formula: C28H23ClN4OS MolecularWeight: 499.02642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)Cl

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)Cl

InChI

InChI=1S/C28H23ClN4OS/c1-2-33-27(29)23(26(32-33)19-10-4-3-5-11-19)18-35-25-15-9-7-13-22(25)28(34)31-21-16-20-12-6-8-14-24(20)30-17-21/h3-17H,2,18H2,1H3,(H,31,34)