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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)F)OC

InChI

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