3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide Openeye Name: 3-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide CAS Name: 3-[(3,4-difluorophenyl)thio]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide IUPAC Name: 3-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide Traditional Name: 3-[(3,4-difluorophenyl)thio]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propionamide Formula: C14H15F2N3OS MolecularWeight: 311.350206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)CCSC2=CC(=C(C=C2)F)F

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)CCSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H15F2N3OS/c1-8-14(9(2)19-18-8)17-13(20)5-6-21-10-3-4-11(15)12(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,17,20)(H,18,19)