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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-3-[(2-methylphenyl)amino]-5,7-dihydroindazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-3-(2-methylanilino)-5,7-dihydroindazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-3-(2-methylanilino)-5,7-dihydroindazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-3-(2-methylanilino)-5,7-dihydroindazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-6,6-dimethyl-3-(o-toluidino)-5,7-dihydroindazol-4-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN(C3=C2C(=O)CC(C3)(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC=C1NC2=NN(C3=C2C(=O)CC(C3)(C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4OS/c1-14-8-4-5-9-15(14)24-21-20-17(12-23(2,3)13-18(20)28)27(26-21)22-25-16-10-6-7-11-19(16)29-22/h4-11H,12-13H2,1-3H3,(H,24,26)