[4-(1-azanyl-2,4-dicyano-pyrido[1,2-a]benzimidazol-3-yl)-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-(1-azanyl-2,4-dicyano-pyrido[1,2-a]benzimidazol-3-yl)-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-(1-amino-2,4-dicyano-pyrido[1,2-a]benzimidazol-3-yl)-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-(1-amino-2,4-dicyano-3-pyrido[1,2-a]benzimidazolyl)-2-methoxyphenyl] ester IUPAC Name: [4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-(1-amino-2,4-dicyano-pyrido[1,2-a]benzimidazol-3-yl)-2-methoxy-phenyl] ester Formula: C26H16FN5O4S MolecularWeight: 513.499743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)N)C#N)OS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)N)C#N)OS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H16FN5O4S/c1-35-23-12-15(6-11-22(23)36-37(33,34)17-9-7-16(27)8-10-17)24-18(13-28)25(30)32-21-5-3-2-4-20(21)31-26(32)19(24)14-29/h2-12H,30H2,1H3