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

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(phenylmethyl)pyridine-3-carboxylic acid Openeye Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(phenylmethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid Traditional Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]nicotinic acid Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C=C2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C=C2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-14-18(24-13-23-14)12-27-8-7-21-19-17(20(25)26)10-16(11-22-19)9-15-5-3-2-4-6-15/h2-6,10-11,13H,7-9,12H2,1H3,(H,21,22)(H,23,24)(H,25,26)