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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C11H12BrN3OS MolecularWeight: 314.20148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C11H12BrN3OS/c1-7-13-11(15-14-7)17-6-8-3-4-10(16-2)9(12)5-8/h3-5H,6H2,1-2H3,(H,13,14,15)