2-(3,7-dimethyloct-6-enylsulfanyl)-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]benzimidazole; ethanedioic acid

Systemtic Name: 2-(3,7-dimethyloct-6-enylsulfanyl)-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]benzimidazole; ethanedioic acid Openeye Name: 2-(3,7-dimethyloct-6-enylsulfanyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]benzimidazole; oxalic acid CAS Name: 2-(3,7-dimethyloct-6-enylthio)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzimidazole; oxalic acid IUPAC Name: 2-(3,7-dimethyloct-6-enylsulfanyl)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]benzimidazole; oxalic acid Traditional Name: 2-(3,7-dimethyloct-6-enylthio)-1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]benzimidazole; oxalic acid Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CN2C3=CC=CC=C3N=C2SCCC(C)CCC=C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CN2C3=CC=CC=C3N=C2SCCC(C)CCC=C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H35N3OS.C2H2O4/c1-18(2)10-9-11-19(3)14-15-31-26-28-22-12-7-8-13-24(22)29(26)17-23-21(5)25(30-6)20(4)16-27-23;3-1(4)2(5)6/h7-8,10,12-13,16,19H,9,11,14-15,17H2,1-6H3;(H,3,4)(H,5,6)