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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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