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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-ethyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-ethyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-4-ethyl-5-(o-tolyl)-1,2,4-triazole Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=C(C=C2)OC)Br)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=C(C=C2)OC)Br)C3=CC=CC=C3C

InChI

InChI=1S/C19H20BrN3OS/c1-4-23-18(15-8-6-5-7-13(15)2)21-22-19(23)25-12-14-9-10-17(24-3)16(20)11-14/h5-11H,4,12H2,1-3H3