1-(1,3-benzothiazol-2-yl)-3-[(2,3-dimethylphenyl)amino]-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(2,3-dimethylphenyl)amino]-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(2,3-dimethylanilino)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(2,3-dimethylanilino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(2,3-dimethylanilino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(2,3-dimethylanilino)-6,7-dihydro-5H-indazol-4-one Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C22H20N4OS/c1-13-7-5-9-15(14(13)2)23-21-20-17(10-6-11-18(20)27)26(25-21)22-24-16-8-3-4-12-19(16)28-22/h3-5,7-9,12H,6,10-11H2,1-2H3,(H,23,25)