N-(4-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-N-(phenylmethyl)-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-N-(phenylmethyl)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-isopropyl-5-methyl-pyrazole-3-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(phenylmethyl)-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-isopropyl-5-methyl-pyrazole-3-carboxamide Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H21FN4OS/c1-14(2)27-15(3)12-18(25-27)21(28)26(13-16-8-5-4-6-9-16)22-24-20-17(23)10-7-11-19(20)29-22/h4-12,14H,13H2,1-3H3