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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4O3)C5=CC=NC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4O3)C5=CC=NC=C5

InChI

InChI=1S/C23H19N5O2S/c1-2-29-18-9-7-17(8-10-18)28-22(16-11-13-24-14-12-16)26-27-23(28)31-15-21-25-19-5-3-4-6-20(19)30-21/h3-14H,2,15H2,1H3