ethanedioic acid; 5-methoxy-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1-pyridin-2-yl-benzimidazole

Systemtic Name: ethanedioic acid; 5-methoxy-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1-pyridin-2-yl-benzimidazole Openeye Name: 5-methoxy-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-1-(2-pyridyl)benzimidazole; oxalic acid CAS Name: 5-methoxy-2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-1-(2-pyridinyl)benzimidazole; oxalic acid IUPAC Name: 5-methoxy-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1-pyridin-2-ylbenzimidazole; oxalic acid Traditional Name: 5-methoxy-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-1-(2-pyridyl)benzimidazole; oxalic acid Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC2=NC3=C(N2C4=CC=CC=N4)C=CC(=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(SC=C1)/C=C/C2=NC3=C(N2C4=CC=CC=N4)C=CC(=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H17N3OS.C2H2O4/c1-14-10-12-25-18(14)8-9-20-22-16-13-15(24-2)6-7-17(16)23(20)19-5-3-4-11-21-19;3-1(4)2(5)6/h3-13H,1-2H3;(H,3,4)(H,5,6)/b9-8+;