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

Systemtic Name: ethanedioic acid; 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine; oxalic acid CAS Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanamine; oxalic acid IUPAC Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine; oxalic acid Traditional Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethylamine; oxalic acid Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCN)C3=CC(=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCN)C3=CC(=CC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N4S.C2H2O4/c1-13-6-8-16(9-7-13)22-17(15-5-3-4-14(2)12-15)20-21-18(22)23-11-10-19;3-1(4)2(5)6/h3-9,12H,10-11,19H2,1-2H3;(H,3,4)(H,5,6)