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

Systemtic Name: 3,5-dimethyl-4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 3,5-dimethyl-4-[[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CC=NC=C4

InChI

InChI=1S/C20H19N5OS/c1-13-6-4-5-7-18(13)25-19(16-8-10-21-11-9-16)22-23-20(25)27-12-17-14(2)24-26-15(17)3/h4-11H,12H2,1-3H3