3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3O2S/c1-28-20-9-5-6-10-21(20)29-15-22-25-26-23(27(22)19-7-3-2-4-8-19)30-16-17-11-13-18(24)14-12-17/h2-14H,15-16H2,1H3