3-(3,4-dimethoxyphenyl)-5-[2-(2-fluoranylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[2-(2-fluoranylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[2-(2-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-[2-(2-fluorophenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[2-(2-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-[2-(2-fluorophenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C18H19FN4O3S MolecularWeight: 390.431863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCOC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCOC3=CC=CC=C3F)OC

InChI

InChI=1S/C18H19FN4O3S/c1-24-15-8-7-12(11-16(15)25-2)17-21-22-18(23(17)20)27-10-9-26-14-6-4-3-5-13(14)19/h3-8,11H,9-10,20H2,1-2H3