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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)C3=CC=C(C=C3)F

InChI

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