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

Systemtic Name: 4-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(2-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC3=C(ON=C3C)C)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-4-27-19-10-6-5-9-18(19)26-20(16-8-7-11-22-12-16)23-24-21(26)29-13-17-14(2)25-28-15(17)3/h5-12H,4,13H2,1-3H3