3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-ethyl-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-ethyl-1H-1,2,4-triazole Formula: C12H14BrN3OS MolecularWeight: 328.22806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C12H14BrN3OS/c1-3-11-14-12(16-15-11)18-7-8-4-5-10(17-2)9(13)6-8/h4-6H,3,7H2,1-2H3,(H,14,15,16)