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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-isopropyl-1H-1,2,4-triazole Formula: C13H16BrN3OS MolecularWeight: 342.25464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C13H16BrN3OS/c1-8(2)12-15-13(17-16-12)19-7-9-4-5-11(18-3)10(14)6-9/h4-6,8H,7H2,1-3H3,(H,15,16,17)