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

Systemtic Name: 2-[(1,5-dimethyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-3-yl-benzamide Openeye Name: 2-[(1,5-dimethyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-(3-quinolyl)benzamide CAS Name: 2-[(1,5-dimethyl-3-phenyl-4-pyrazolyl)methylthio]-N-(3-quinolinyl)benzamide IUPAC Name: 2-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methylsulfanyl]-N-quinolin-3-ylbenzamide Traditional Name: 2-[(1,5-dimethyl-3-phenyl-pyrazol-4-yl)methylthio]-N-(3-quinolyl)benzamide Formula: C28H24N4OS MolecularWeight: 464.58136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=C(C(=NN1C)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H24N4OS/c1-19-24(27(31-32(19)2)20-10-4-3-5-11-20)18-34-26-15-9-7-13-23(26)28(33)30-22-16-21-12-6-8-14-25(21)29-17-22/h3-17H,18H2,1-2H3,(H,30,33)