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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Formula: C19H17BrFN3OS MolecularWeight: 434.325183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F)Br

InChI

InChI=1S/C19H17BrFN3OS/c1-25-17-9-6-12(10-15(17)20)11-26-19-23-22-18(24(19)13-7-8-13)14-4-2-3-5-16(14)21/h2-6,9-10,13H,7-8,11H2,1H3