3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3OS/c1-18-22(19(2)26(25-18)21-11-7-4-8-12-21)13-14-23(27)24-15-16-28-17-20-9-5-3-6-10-20/h3-12H,13-17H2,1-2H3,(H,24,27)