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

Systemtic Name: 3-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[2-(2-chlorophenoxy)ethylthio]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(2-chlorophenoxy)ethylthio]-5-phenyl-4-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)N2C(=NN=C2SCCOC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

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