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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(2-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-[(2-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-[(2-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-[(2-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-[(2-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C23H19BrN4O4S MolecularWeight: 527.39036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4[N+](=O)[O-])Br

InChI

InChI=1S/C23H19BrN4O4S/c1-31-20-12-11-16(13-18(20)24)15-33-23-26-25-22(27(23)17-7-3-2-4-8-17)14-32-21-10-6-5-9-19(21)28(29)30/h2-13H,14-15H2,1H3