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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(2-chloranyl-4-methyl-phenyl)amino]-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(2-chloro-4-methyl-anilino)-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(2-chloro-4-methylanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(2-chloro-4-methylanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(2-chloro-4-methyl-anilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C23H21ClN4OS MolecularWeight: 436.95704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4OS/c1-13-8-9-15(14(24)10-13)25-21-20-17(11-23(2,3)12-18(20)29)28(27-21)22-26-16-6-4-5-7-19(16)30-22/h4-10H,11-12H2,1-3H3,(H,25,27)