N-[(E)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-(2-methylquinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-(2-methylquinolin-4-yl)sulfanyl-ethanamide Openeye Name: 2-[(2-methyl-4-quinolyl)sulfanyl]-N-[(E)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: N-[(E)-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-[(2-methyl-4-quinolinyl)thio]acetamide IUPAC Name: N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-methyl-4-quinolyl)thio]-N-[(E)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C29H25N5OS MolecularWeight: 491.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CSC3=CC(=NC4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)CSC3=CC(=NC4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C29H25N5OS/c1-20-12-14-22(15-13-20)29-23(18-34(33-29)24-8-4-3-5-9-24)17-30-32-28(35)19-36-27-16-21(2)31-26-11-7-6-10-25(26)27/h3-18H,19H2,1-2H3,(H,32,35)/b30-17+