3-(4-methoxyphenyl)-5-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=NO3)C4=CC=C(C=C4)OC)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=NO3)C4=CC=C(C=C4)OC)C5=CN=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-17-6-3-4-8-23(17)30-24(19-7-5-13-26-15-19)27-28-25(30)33-16-21-14-22(29-32-21)18-9-11-20(31-2)12-10-18/h3-15H,16H2,1-2H3