3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(3,4-difluorophenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-[(3,4-difluorophenyl)thio]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(3,4-difluorophenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-[(3,4-difluorophenyl)thio]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C20H19F2N3OS MolecularWeight: 387.446166

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCSC3=CC(=C(C=C3)F)F

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H19F2N3OS/c1-24(13-15-12-23-25(14-15)16-5-3-2-4-6-16)20(26)9-10-27-17-7-8-18(21)19(22)11-17/h2-8,11-12,14H,9-10,13H2,1H3