2-[2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]ethenyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]-6-nitro-1,3-benzothiazole Formula: C25H18N4O3S MolecularWeight: 454.50042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O3S/c1-32-21-11-7-17(8-12-21)25-18(16-28(27-25)19-5-3-2-4-6-19)9-14-24-26-22-13-10-20(29(30)31)15-23(22)33-24/h2-16H,1H3