1-(1,3-benzothiazol-2-yl)-6-(4-tert-butylphenyl)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-6-(4-tert-butylphenyl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-6-(4-tert-butylphenyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-6-(4-tert-butylphenyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-6-(4-tert-butylphenyl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-6-(4-tert-butylphenyl)-6,7-dihydro-5H-indazol-4-one Formula: C24H23N3OS MolecularWeight: 401.52392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C=NN3C4=NC5=CC=CC=C5S4)C(=O)C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C=NN3C4=NC5=CC=CC=C5S4)C(=O)C2

InChI

InChI=1S/C24H23N3OS/c1-24(2,3)17-10-8-15(9-11-17)16-12-20-18(21(28)13-16)14-25-27(20)23-26-19-6-4-5-7-22(19)29-23/h4-11,14,16H,12-13H2,1-3H3