3-[2-(2-chloranylphenoxy)ethylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(2-chloranylphenoxy)ethylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(2-chlorophenoxy)ethylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(2-chlorophenoxy)ethylthio]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(2-chlorophenoxy)ethylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(2-chlorophenoxy)ethylthio]-4-phenyl-5-p-phenetyl-1,2,4-triazole Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=CC=C4Cl

InChI

InChI=1S/C24H22ClN3O2S/c1-2-29-20-14-12-18(13-15-20)23-26-27-24(28(23)19-8-4-3-5-9-19)31-17-16-30-22-11-7-6-10-21(22)25/h3-15H,2,16-17H2,1H3