N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-4-fluoro-benzamide CAS Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-4-fluorobenzamide Traditional Name: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]-4-fluoro-benzamide Formula: C18H16FN3OS MolecularWeight: 341.402543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3OS/c1-11-17(12(2)22-21-11)24-16-6-4-3-5-15(16)20-18(23)13-7-9-14(19)10-8-13/h3-10H,1-2H3,(H,20,23)(H,21,22)