2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-pentyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-pentyl-pyridine-3-carboxylic acid Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-pentyl-pyridine-3-carboxylic acid CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-pentyl-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-pentylpyridine-3-carboxylic acid Traditional Name: 5-amyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]nicotinic acid Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C(=C1)C(=O)O)NCCSCC2=C(NC=N2)C

Isomeric SMILES

CCCCCC1=CN=C(C(=C1)C(=O)O)NCCSCC2=C(NC=N2)C

InChI

InChI=1S/C18H26N4O2S/c1-3-4-5-6-14-9-15(18(23)24)17(20-10-14)19-7-8-25-11-16-13(2)21-12-22-16/h9-10,12H,3-8,11H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)