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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 1-(4-mesylphenyl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O4S2/c1-3-32-20-10-8-19(9-11-20)28-23(18-5-4-14-25-15-18)26-27-24(28)33-16-22(29)17-6-12-21(13-7-17)34(2,30)31/h4-15H,3,16H2,1-2H3