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

Systemtic Name: ethanedioic acid; 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine; oxalic acid CAS Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanamine; oxalic acid IUPAC Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamine; oxalic acid Traditional Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethylamine; oxalic acid Formula: C19H21N5O4S MolecularWeight: 415.46614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCCN)C3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCCN)C3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19N5S.C2H2O4/c1-2-13-3-5-15(6-4-13)22-16(14-7-10-19-11-8-14)20-21-17(22)23-12-9-18;3-1(4)2(5)6/h3-8,10-11H,2,9,12,18H2,1H3;(H,3,4)(H,5,6)