4-[[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]carbonyl]-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-[[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]carbonyl]-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-2,5-dimethyl-3-pyrazolin-3-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C3=CC=C(C=C3)OC)C(=O)C4=C(NN(C4=O)C)C

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C3=CC=C(C=C3)OC)C(=O)C4=C(NN(C4=O)C)C

InChI

InChI=1S/C21H19N3O3S/c1-11-15(19(25)17-12(2)23-24(3)21(17)26)9-10-16-18(11)22-20(28-16)13-5-7-14(27-4)8-6-13/h5-10,23H,1-4H3