(2S)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-15-24(16(2)29(4)28-15)27-25(30)17(3)32-23-14-21(18-9-7-6-8-10-18)20-12-11-19(31-5)13-22(20)26-23/h6-14,17H,1-5H3,(H,27,30)/t17-/m0/s1