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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C14H16BrN3OS/c1-9-16-17-14(18(9)11-4-5-11)20-8-10-3-6-13(19-2)12(15)7-10/h3,6-7,11H,4-5,8H2,1-2H3