ethanedioic acid; N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine

Systemtic Name: ethanedioic acid; N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine; oxalic acid CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(1-methyl-2-imidazolyl)thio]ethanamine; oxalic acid IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine; oxalic acid Traditional Name: 2-[(1-methylimidazol-2-yl)thio]ethyl-p-anisyl-amine; oxalic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNCC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CN=C1SCCNCC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3OS.C2H2O4/c1-17-9-7-16-14(17)19-10-8-15-11-12-3-5-13(18-2)6-4-12;3-1(4)2(5)6/h3-7,9,15H,8,10-11H2,1-2H3;(H,3,4)(H,5,6)