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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(2-ethylphenyl)amino]-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(2-ethylanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(2-ethylanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(2-ethylanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(2-ethylanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NN(C3=C2C(=O)CC(C3)(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NN(C3=C2C(=O)CC(C3)(C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4OS/c1-4-15-9-5-6-10-16(15)25-22-21-18(13-24(2,3)14-19(21)29)28(27-22)23-26-17-11-7-8-12-20(17)30-23/h5-12H,4,13-14H2,1-3H3,(H,25,27)