3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole Formula: C17H15BrClN3O2S MolecularWeight: 440.7419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrClN3O2S/c1-23-15-7-4-12(19)10-14(15)16-20-17(22-21-16)25-9-8-24-13-5-2-11(18)3-6-13/h2-7,10H,8-9H2,1H3,(H,20,21,22)