[4-[(Z)-2-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[(Z)-2-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[(Z)-2-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-vinyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[(Z)-2-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[(Z)-2-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C26H18FN5O4S MolecularWeight: 515.515623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H18FN5O4S/c1-35-24-14-17(7-12-23(24)36-37(33,34)21-10-8-19(27)9-11-21)13-18(15-28)25-22(16-29)26(30)32(31-25)20-5-3-2-4-6-20/h2-14H,30H2,1H3/b18-13+