N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C31H30N4O2S MolecularWeight: 522.6605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O2S/c1-31(2,3)27-19-28(35(34-27)22-13-9-6-10-14-22)33-29(36)20-38-30-18-25(21-11-7-5-8-12-21)24-16-15-23(37-4)17-26(24)32-30/h5-19H,20H2,1-4H3,(H,33,36)