3-(3,4-dimethylphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[3-(1-pyrazolylmethyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[3-(pyrazol-1-ylmethyl)phenyl]propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3)C

InChI

InChI=1S/C21H23N3OS/c1-16-7-8-20(13-17(16)2)26-12-9-21(25)23-19-6-3-5-18(14-19)15-24-11-4-10-22-24/h3-8,10-11,13-14H,9,12,15H2,1-2H3,(H,23,25)