N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(p-tolylsulfanyl)propanamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(p-tolylthio)propionamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H27N3OS/c1-16-10-12-21(13-11-16)28-19(4)23(27)24-14-22-17(2)25-26(18(22)3)15-20-8-6-5-7-9-20/h5-13,19H,14-15H2,1-4H3,(H,24,27)