ethanedioic acid; 5-fluoranyl-1-pyridin-2-yl-2-[(E)-2-thiophen-2-ylethenyl]benzimidazole

Systemtic Name: ethanedioic acid; 5-fluoranyl-1-pyridin-2-yl-2-[(E)-2-thiophen-2-ylethenyl]benzimidazole Openeye Name: 5-fluoro-1-(2-pyridyl)-2-[(E)-2-(2-thienyl)vinyl]benzimidazole; oxalic acid CAS Name: 5-fluoro-1-(2-pyridinyl)-2-[(E)-2-thiophen-2-ylethenyl]benzimidazole; oxalic acid IUPAC Name: 5-fluoro-1-pyridin-2-yl-2-[(E)-2-thiophen-2-ylethenyl]benzimidazole; oxalic acid Traditional Name: 5-fluoro-1-(2-pyridyl)-2-[(E)-2-(2-thienyl)vinyl]benzimidazole; oxalic acid Formula: C20H14FN3O4S MolecularWeight: 411.406263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C3=C(C=C(C=C3)F)N=C2C=CC4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)N2C3=C(C=C(C=C3)F)N=C2/C=C/C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H12FN3S.C2H2O4/c19-13-6-8-16-15(12-13)21-18(9-7-14-4-3-11-23-14)22(16)17-5-1-2-10-20-17;3-1(4)2(5)6/h1-12H;(H,3,4)(H,5,6)/b9-7+;