1-[4-ethoxy-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CCOC)C3=CC=NC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CCOC)C3=CC=NC=C3

InChI

InChI=1S/C21H24N4O3S/c1-4-28-19-6-5-17(15(2)26)13-18(19)14-29-21-24-23-20(25(21)11-12-27-3)16-7-9-22-10-8-16/h5-10,13H,4,11-12,14H2,1-3H3