2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenoxyphenyl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenoxyphenyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenoxyphenyl)ethanone Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H23N3O3S/c1-3-28-24(21-11-7-8-12-23(21)30-2)26-27-25(28)32-17-22(29)18-13-15-20(16-14-18)31-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3