tert-butyl 4-[(E)-2-[5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]ethenyl]benzoate

Systemtic Name: tert-butyl 4-[(E)-2-[5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]ethenyl]benzoate Openeye Name: tert-butyl 4-[(E)-2-[5-cyano-6-(4-nitrophenyl)sulfanyl-3-pyridyl]vinyl]benzoate CAS Name: 4-[(E)-2-[5-cyano-6-[(4-nitrophenyl)thio]-3-pyridinyl]ethenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-[5-cyano-6-(4-nitrophenyl)sulfanylpyridin-3-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[5-cyano-6-[(4-nitrophenyl)thio]-3-pyridyl]vinyl]benzoic acid tert-butyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C=CC2=CN=C(C(=C2)C#N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)/C=C/C2=CN=C(C(=C2)C#N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O4S/c1-25(2,3)32-24(29)19-8-6-17(7-9-19)4-5-18-14-20(15-26)23(27-16-18)33-22-12-10-21(11-13-22)28(30)31/h4-14,16H,1-3H3/b5-4+