3-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenoxy)ethylthio]-5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-chlorophenoxy)ethylthio]-5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazole Formula: C25H20ClN3O2S MolecularWeight: 461.9632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCCOC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H20ClN3O2S/c1-17-21-9-5-6-10-22(21)31-23(17)24-27-28-25(29(24)19-7-3-2-4-8-19)32-16-15-30-20-13-11-18(26)12-14-20/h2-14H,15-16H2,1H3