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

Systemtic Name: 4-(4-chlorophenyl)-2-[(E)-2-(3-nitro-4-piperidin-1-yl-phenyl)ethenyl]-1,3-thiazole Openeye Name: 4-(4-chlorophenyl)-2-[(E)-2-[3-nitro-4-(1-piperidyl)phenyl]vinyl]thiazole CAS Name: 4-(4-chlorophenyl)-2-[(E)-2-[3-nitro-4-(1-piperidinyl)phenyl]ethenyl]thiazole IUPAC Name: 4-(4-chlorophenyl)-2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole Traditional Name: 4-(4-chlorophenyl)-2-[(E)-2-(3-nitro-4-piperidino-phenyl)vinyl]thiazole Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=CC3=NC(=CS3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C/C3=NC(=CS3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN3O2S/c23-18-8-6-17(7-9-18)19-15-29-22(24-19)11-5-16-4-10-20(21(14-16)26(27)28)25-12-2-1-3-13-25/h4-11,14-15H,1-3,12-13H2/b11-5+