3-(3,5-dimethoxyphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3,5-dimethoxyphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3,5-dimethoxyphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3,5-dimethoxyphenyl)-5-[(2-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3,5-dimethoxyphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3,5-dimethoxyphenyl)-5-[(2-fluorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H17FN4O2S MolecularWeight: 360.405883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(N2N)SCC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(N2N)SCC3=CC=CC=C3F)OC

InChI

InChI=1S/C17H17FN4O2S/c1-23-13-7-12(8-14(9-13)24-2)16-20-21-17(22(16)19)25-10-11-5-3-4-6-15(11)18/h3-9H,10,19H2,1-2H3