2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]-1,3-benzothiazole Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H21N3O2S/c1-30-22-14-12-18(16-23(22)31-2)26-19(17-29(28-26)20-8-4-3-5-9-20)13-15-25-27-21-10-6-7-11-24(21)32-25/h3-17H,1-2H3/b15-13+