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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3-bromo-4-methoxy-benzyl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H17BrN4O3S/c1-22-17(10-13-5-8-16(26-2)15(19)9-13)20-21-18(22)27-11-12-3-6-14(7-4-12)23(24)25/h3-9H,10-11H2,1-2H3