2-[(E)-2-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-5,6-dimethyl-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-5,6-dimethyl-1,3-benzothiazole Openeye Name: 2-[(E)-2-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]vinyl]-5,6-dimethyl-1,3-benzothiazole CAS Name: 2-[(E)-2-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole IUPAC Name: 2-[(E)-2-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]ethenyl]-5,6-dimethyl-1,3-benzothiazole Traditional Name: 2-[(E)-2-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]vinyl]-5,6-dimethyl-1,3-benzothiazole Formula: C28H21N3OS MolecularWeight: 447.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)C=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)/C=C/C3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

InChI

InChI=1S/C28H21N3OS/c1-18-14-23-26(15-19(18)2)33-27(29-23)13-12-21-17-31(22-9-4-3-5-10-22)30-28(21)25-16-20-8-6-7-11-24(20)32-25/h3-17H,1-2H3/b13-12+