5-nitro-2-[(E)-2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]ethenyl]-1,3-benzothiazole

Systemtic Name: 5-nitro-2-[(E)-2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-5-nitro-1,3-benzothiazole CAS Name: 5-nitro-2-[(E)-2-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-5-nitro-1,3-benzothiazole Formula: C23H16N4O2S2 MolecularWeight: 444.52874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C=CC4=NC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C/C4=NC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O2S2/c28-27(29)18-9-10-20-19(13-18)24-22(31-20)11-8-17-15-26(14-16-5-2-1-3-6-16)25-23(17)21-7-4-12-30-21/h1-13,15H,14H2/b11-8+