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

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-phenoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-phenoxybenzyl)thio]-1,2,4-triazole Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3OS/c1-26-21(16-11-13-18(23)14-12-16)24-25-22(26)28-15-17-7-5-6-10-20(17)27-19-8-3-2-4-9-19/h2-14H,15H2,1H3