N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-ethanamide Openeye Name: 2-[(E)-cinnamyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[(E)-3-phenylprop-2-enyl]thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide Traditional Name: 2-[[(E)-cinnamyl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-17-21(22(27)25(24(17)2)19-13-7-4-8-14-19)23-20(26)16-28-15-9-12-18-10-5-3-6-11-18/h3-14H,15-16H2,1-2H3,(H,23,26)/b12-9+