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

Systemtic Name: 1-[4-ethoxy-3-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C(=O)C)OCC)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C(=O)C)OCC)C4=CC=NC=C4

InChI

InChI=1S/C26H26N4O2S/c1-4-19-6-9-23(10-7-19)30-25(20-12-14-27-15-13-20)28-29-26(30)33-17-22-16-21(18(3)31)8-11-24(22)32-5-2/h6-16H,4-5,17H2,1-3H3