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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3OS/c1-17-10-11-22(14-18(17)2)29-13-12-24(28)25-15-23-19(3)26-27(20(23)4)16-21-8-6-5-7-9-21/h5-11,14H,12-13,15-16H2,1-4H3,(H,25,28)