1-(1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanone

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanone Openeye Name: 1-(1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanone CAS Name: 1-(1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]ethanone IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]ethanone Traditional Name: 1-(1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanone Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CC(=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CC(=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O2S/c1-30-20-13-11-17(12-14-20)24-18(16-28(27-24)19-7-3-2-4-8-19)15-22(29)25-26-21-9-5-6-10-23(21)31-25/h2-14,16H,15H2,1H3