3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-phenylsulfanylethyl)propanamide

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-phenylsulfanylethyl)propanamide Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-N-(2-phenylsulfanylethyl)propanamide CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-N-[2-(phenylthio)ethyl]propanamide IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-phenylsulfanylethyl)propanamide Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-N-[2-(phenylthio)ethyl]propionamide Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C20H29N3OS/c1-15(2)14-23-17(4)19(16(3)22-23)10-11-20(24)21-12-13-25-18-8-6-5-7-9-18/h5-9,15H,10-14H2,1-4H3,(H,21,24)