1-[3-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethanone

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethanone Openeye Name: 1-[3-(1,3-benzothiazole-2-carbonyl)-1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethanone CAS Name: 1-[3-[1,3-benzothiazol-2-yl(oxo)methyl]-1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethanone IUPAC Name: 1-[3-(1,3-benzothiazole-2-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone Traditional Name: 1-[3-(1,3-benzothiazole-2-carbonyl)-1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethanone Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)OC)C(=O)C3=NC4=CC=CC=C4S3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)OC)C(=O)C3=NC4=CC=CC=C4S3)C(=O)C

InChI

InChI=1S/C21H17N3O3S/c1-12-18(13(2)25)19(23-24(12)14-8-10-15(27-3)11-9-14)20(26)21-22-16-6-4-5-7-17(16)28-21/h4-11H,1-3H3