2-[(E)-2-(3-nitro-4-piperidin-1-yl-phenyl)ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(3-nitro-4-piperidin-1-yl-phenyl)ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[3-nitro-4-(1-piperidyl)phenyl]vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-[3-nitro-4-(1-piperidinyl)phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3-nitro-4-piperidino-phenyl)vinyl]-1,3-benzothiazole Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C/C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O2S/c24-23(25)18-14-15(8-10-17(18)22-12-4-1-5-13-22)9-11-20-21-16-6-2-3-7-19(16)26-20/h2-3,6-11,14H,1,4-5,12-13H2/b11-9+