3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC(=C3)C(=O)O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC(=C3)C(=O)O)N4CCCCC4

InChI

InChI=1S/C22H24N4O3S/c1-29-19-11-4-3-10-18(19)26-21(25-12-5-2-6-13-25)23-24-22(26)30-15-16-8-7-9-17(14-16)20(27)28/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,27,28)