3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Formula: C17H15BrClN3OS MolecularWeight: 424.7425

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC(=CC=C2)Br)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC(=CC=C2)Br)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15BrClN3OS/c1-22-16(12-5-7-14(19)8-6-12)20-21-17(22)24-10-9-23-15-4-2-3-13(18)11-15/h2-8,11H,9-10H2,1H3