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

Systemtic Name: 3-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(2-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-isoxazole CAS Name: 3-[[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Traditional Name: 5-methyl-3-[[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC3=NOC(=C3)C)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC3=NOC(=C3)C)C4=CN=CC=C4

InChI

InChI=1S/C20H19N5O2S/c1-3-26-18-9-5-4-8-17(18)25-19(15-7-6-10-21-12-15)22-23-20(25)28-13-16-11-14(2)27-24-16/h4-12H,3,13H2,1-2H3