2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 1-(4-phenylphenyl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H24N4O2S MolecularWeight: 492.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H24N4O2S/c1-2-35-26-16-14-25(15-17-26)33-28(24-9-6-18-30-19-24)31-32-29(33)36-20-27(34)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-19H,2,20H2,1H3