N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(8-methoxy-4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(8-methoxy-4-methyl-2-quinolyl)thio]butyramide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC4=C(C=CC=C4OC)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC4=C(C=CC=C4OC)C(=C3)C

InChI

InChI=1S/C25H23N5O2S/c1-4-21(33-22-13-16(2)19-11-8-12-20(32-3)23(19)28-22)25(31)29-24-17(14-26)15-27-30(24)18-9-6-5-7-10-18/h5-13,15,21H,4H2,1-3H3,(H,29,31)