N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H25N3OS/c1-15-10-11-20(14-16(15)2)27-13-12-21(26)23-22-17(3)24-25(18(22)4)19-8-6-5-7-9-19/h5-11,14H,12-13H2,1-4H3,(H,23,26)