1-(1,3-benzothiazol-2-yl)-3-[(2-fluorophenyl)amino]-6,6-dimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(2-fluorophenyl)amino]-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(2-fluoroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(2-fluoroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(2-fluoroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(2-fluoroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C22H19FN4OS MolecularWeight: 406.475863

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=NC4=CC=CC=C4S3)NC5=CC=CC=C5F)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=NC4=CC=CC=C4S3)NC5=CC=CC=C5F)C

InChI

InChI=1S/C22H19FN4OS/c1-22(2)11-16-19(17(28)12-22)20(24-14-8-4-3-7-13(14)23)26-27(16)21-25-15-9-5-6-10-18(15)29-21/h3-10H,11-12H2,1-2H3,(H,24,26)