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

Systemtic Name: 4-[[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]carbonyl]-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 2-isopropyl-4-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one CAS Name: 4-[[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 2-isopropyl-4-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-3-pyrazolin-3-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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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=CNN(C4=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-12(2)25-22(27)17(11-23-25)20(26)16-9-10-18-19(13(16)3)24-21(29-18)14-5-7-15(28-4)8-6-14/h5-12,23H,1-4H3