2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[[3-methyl-4-(2-morpholinoethylsulfanyl)-2-pyridyl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[3-methyl-4-[2-(4-morpholinyl)ethylthio]-2-pyridinyl]methylthio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[3-methyl-4-(2-morpholinoethylthio)-2-pyridyl]methylthio]-3H-benzimidazole-5-carboxylic acid Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(=O)O)SCCN4CCOCC4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(=O)O)SCCN4CCOCC4

InChI

InChI=1S/C21H24N4O3S2/c1-14-18(22-5-4-19(14)29-11-8-25-6-9-28-10-7-25)13-30-21-23-16-3-2-15(20(26)27)12-17(16)24-21/h2-5,12H,6-11,13H2,1H3,(H,23,24)(H,26,27)