5-(4-bromophenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-bromophenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-bromophenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-bromophenyl)-3-[(3-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-bromophenyl)-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-bromophenyl)-3-(m-anisylthio)-1H-1,2,4-triazole Formula: C16H14BrN3OS MolecularWeight: 376.27086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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