N-(2,5-dimethylpyrazol-3-yl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N4O2S/c1-15-11-21(27(2)26-15)25-22(28)14-30-23-13-19(16-7-5-4-6-8-16)18-10-9-17(29-3)12-20(18)24-23/h4-13H,14H2,1-3H3,(H,25,28)