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

Systemtic Name: 6-nitro-2-[2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[2-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)ethenyl]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-1,3-benzothiazole Formula: C22H14N4O2S2 MolecularWeight: 430.50216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O2S2/c27-26(28)17-9-10-18-20(13-17)30-21(23-18)11-8-15-14-25(16-5-2-1-3-6-16)24-22(15)19-7-4-12-29-19/h1-14H