2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methyl-pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylic acid

Systemtic Name: 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methyl-pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylic acid Openeye Name: 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methyl-2-pyridyl]methylsulfanyl]benzimidazole-1-carboxylic acid CAS Name: 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]-3-methyl-2-pyridinyl]methylthio]-1-benzimidazolecarboxylic acid IUPAC Name: 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methylpyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylic acid Traditional Name: 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]-3-methyl-2-pyridyl]methylthio]benzimidazole-1-carboxylic acid Formula: C26H26N4O2S2 MolecularWeight: 490.64024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C(=O)O)SCCN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C(=O)O)SCCN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H26N4O2S2/c1-18-22(17-34-25-28-21-8-4-5-9-23(21)30(25)26(31)32)27-12-10-24(18)33-15-14-29-13-11-19-6-2-3-7-20(19)16-29/h2-10,12H,11,13-17H2,1H3,(H,31,32)