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

Systemtic Name: ethyl 4-[(E)-2-[5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]ethenyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C23H17N3O4S/c1-2-30-23(27)18-7-5-16(6-8-18)3-4-17-13-19(14-24)22(25-15-17)31-21-11-9-20(10-12-21)26(28)29/h3-13,15H,2H2,1H3/b4-3+