3-[4-(2,6-diethylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(2,6-diethylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2,6-diethylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2,6-diethylphenyl)-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2,6-diethylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2,6-diethylphenyl)-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazol-3-yl]pyridine Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCCOC3=CC=C(C=C3)OC)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCCOC3=CC=C(C=C3)OC)C4=CN=CC=C4

InChI

InChI=1S/C26H28N4O2S/c1-4-19-8-6-9-20(5-2)24(19)30-25(21-10-7-15-27-18-21)28-29-26(30)33-17-16-32-23-13-11-22(31-3)12-14-23/h6-15,18H,4-5,16-17H2,1-3H3