[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenyl] ester Formula: C23H16FN3O3S MolecularWeight: 433.454843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)/C#N

InChI

InChI=1S/C23H16FN3O3S/c1-15-2-11-21-22(12-15)27-23(26-21)17(14-25)13-16-3-7-19(8-4-16)30-31(28,29)20-9-5-18(24)6-10-20/h2-13H,1H3,(H,26,27)/b17-13+