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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromo-4-methoxy-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C10H11BrN4OS MolecularWeight: 315.18954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=CN2N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=CN2N)Br

InChI

InChI=1S/C10H11BrN4OS/c1-16-9-3-2-7(4-8(9)11)5-17-10-14-13-6-15(10)12/h2-4,6H,5,12H2,1H3