ethanedioic acid; 4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine

Systemtic Name: ethanedioic acid; 4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Openeye Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine; oxalic acid CAS Name: 4-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]piperidine; oxalic acid IUPAC Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine; oxalic acid Traditional Name: 4-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidine; oxalic acid Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCNCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCNCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20N4S.C2H2O4/c1-19-14(13-7-9-16-10-8-13)17-18-15(19)20-11-12-5-3-2-4-6-12;3-1(4)2(5)6/h2-6,13,16H,7-11H2,1H3;(H,3,4)(H,5,6)