3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)OCC

InChI

InChI=1S/C20H23N3O2S/c1-3-15-5-7-16(8-6-15)19-21-20(23-22-19)26-14-13-25-18-11-9-17(10-12-18)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22,23)