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

Systemtic Name: 6-nitro-2-[(E)-2-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-[(E)-2-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)ethenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]-6-nitro-1,3-benzothiazole Formula: C24H17N5O2S MolecularWeight: 439.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17N5O2S/c30-29(31)20-9-10-21-22(13-20)32-23(26-21)11-8-19-16-28(15-17-5-2-1-3-6-17)27-24(19)18-7-4-12-25-14-18/h1-14,16H,15H2/b11-8+