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

Systemtic Name: 2-[(1-methyl-5-methylsulfanyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-3-yl-benzamide Openeye Name: 2-[(1-methyl-5-methylsulfanyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]-N-(3-quinolyl)benzamide CAS Name: 2-[[1-methyl-5-(methylthio)-3-phenyl-4-pyrazolyl]methylthio]-N-(3-quinolinyl)benzamide IUPAC Name: 2-[(1-methyl-5-methylsulfanyl-3-phenylpyrazol-4-yl)methylsulfanyl]-N-quinolin-3-ylbenzamide Traditional Name: 2-[[1-methyl-5-(methylthio)-3-phenyl-pyrazol-4-yl]methylthio]-N-(3-quinolyl)benzamide Formula: C28H24N4OS2 MolecularWeight: 496.64636

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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=CC=CC=C5N=C4)SC

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)SC

InChI

InChI=1S/C28H24N4OS2/c1-32-28(34-2)23(26(31-32)19-10-4-3-5-11-19)18-35-25-15-9-7-13-22(25)27(33)30-21-16-20-12-6-8-14-24(20)29-17-21/h3-17H,18H2,1-2H3,(H,30,33)