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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C16H14BrN3OS MolecularWeight: 376.27086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14BrN3OS/c1-21-14-8-7-13(17)9-12(14)10-22-16-18-15(19-20-16)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,20)