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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-4-cyclopropyl-5-methyl-1,2,4-triazole IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole Traditional Name: 3-[(5-bromo-2-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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

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