ethanedioic acid; N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenyl-methanamine

Systemtic Name: ethanedioic acid; N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenyl-methanamine Openeye Name: N-[(2-methylthiazol-4-yl)methyl]-1-phenyl-methanamine; oxalic acid CAS Name: N-[(2-methyl-4-thiazolyl)methyl]-1-phenylmethanamine; oxalic acid IUPAC Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-[(2-methylthiazol-4-yl)methyl]amine; oxalic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC(=CS1)CNCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H14N2S.C2H2O4/c1-10-14-12(9-15-10)8-13-7-11-5-3-2-4-6-11;3-1(4)2(5)6/h2-6,9,13H,7-8H2,1H3;(H,3,4)(H,5,6)