3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C17H17BrN4OS MolecularWeight: 405.31208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C17H17BrN4OS/c1-11-3-5-12(6-4-11)16-20-21-17(22(16)19)24-10-13-9-14(18)7-8-15(13)23-2/h3-9H,10,19H2,1-2H3