5-nitro-2-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzothiazole

Systemtic Name: 5-nitro-2-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzothiazole Openeye Name: 5-nitro-2-[(E)-2-[2-(2-pyridylmethoxy)phenyl]vinyl]-1,3-benzothiazole CAS Name: 5-nitro-2-[(E)-2-[2-(2-pyridinylmethoxy)phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 5-nitro-2-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzothiazole Traditional Name: 5-nitro-2-[(E)-2-[2-(2-pyridylmethoxy)phenyl]vinyl]-1,3-benzothiazole Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=N4

InChI

InChI=1S/C21H15N3O3S/c25-24(26)17-9-10-20-18(13-17)23-21(28-20)11-8-15-5-1-2-7-19(15)27-14-16-6-3-4-12-22-16/h1-13H,14H2/b11-8+