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

Systemtic Name: 5-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(5-bromo-2-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(5-bromo-2-methoxy-benzyl)thio]-1H-1,2,4-triazole Formula: C10H10BrN3OS MolecularWeight: 300.1749

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC=NN2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=NN2

InChI

InChI=1S/C10H10BrN3OS/c1-15-9-3-2-8(11)4-7(9)5-16-10-12-6-13-14-10/h2-4,6H,5H2,1H3,(H,12,13,14)