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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)thio]-5-cyclopropyl-4-methyl-1,2,4-triazole Formula: C14H16BrN3OS MolecularWeight: 354.26534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC(=C2)Br)OC)C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC(=C2)Br)OC)C3CC3

InChI

InChI=1S/C14H16BrN3OS/c1-18-13(9-3-4-9)16-17-14(18)20-8-10-7-11(15)5-6-12(10)19-2/h5-7,9H,3-4,8H2,1-2H3