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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-ethyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-4-ethyl-5-phenyl-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3OS/c1-3-22-17(14-7-5-4-6-8-14)20-21-18(22)24-12-13-9-10-16(23-2)15(19)11-13/h4-11H,3,12H2,1-2H3