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

Systemtic Name: 2-[2-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[2-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]vinyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[2-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]ethenyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[2-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]ethenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[2-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]vinyl]-6-nitro-1,3-benzothiazole Formula: C26H16N4O3S MolecularWeight: 464.49524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H16N4O3S/c31-30(32)20-11-12-21-24(15-20)34-25(27-21)13-10-18-16-29(19-7-2-1-3-8-19)28-26(18)23-14-17-6-4-5-9-22(17)33-23/h1-16H