ethanedioic acid; 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine

Systemtic Name: ethanedioic acid; 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; oxalic acid CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanamine; oxalic acid IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; oxalic acid Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]ethylamine; oxalic acid Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCCN.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16N4S.C2H2O4/c1-10-14-15-12(17-8-7-13)16(10)9-11-5-3-2-4-6-11;3-1(4)2(5)6/h2-6H,7-9,13H2,1H3;(H,3,4)(H,5,6)