ethanedioic acid; 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methyl-pyridine

Systemtic Name: ethanedioic acid; 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methyl-pyridine Openeye Name: 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methyl-pyridine; oxalic acid CAS Name: 5-[2-[(4-methoxyphenyl)thio]ethyl]-2-methylpyridine; oxalic acid IUPAC Name: 5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridine; oxalic acid Traditional Name: 5-[2-[(4-methoxyphenyl)thio]ethyl]-2-methyl-pyridine; oxalic acid Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CCSC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC=C(C=C1)CCSC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17NOS.C2H2O4/c1-12-3-4-13(11-16-12)9-10-18-15-7-5-14(17-2)6-8-15;3-1(4)2(5)6/h3-8,11H,9-10H2,1-2H3;(H,3,4)(H,5,6)