ethanedioic acid; 1-(4-methylphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine Openeye Name: oxalic acid; 1-(p-tolyl)-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine CAS Name: 1-(4-methylphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine; oxalic acid IUPAC Name: 1-(4-methylphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine; oxalic acid Traditional Name: (4-methylbenzyl)-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amine; oxalic acid Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=NC(=NO2)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=NC(=NO2)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15N3OS.C2H2O4/c1-11-4-6-12(7-5-11)9-16-10-14-17-15(18-19-14)13-3-2-8-20-13;3-1(4)2(5)6/h2-8,16H,9-10H2,1H3;(H,3,4)(H,5,6)