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

Systemtic Name: 3-(4-ethylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-ethylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-ethylphenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-ethylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-ethylphenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H17FN4S MolecularWeight: 328.407083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4S/c1-2-12-3-7-14(8-4-12)16-20-21-17(22(16)19)23-11-13-5-9-15(18)10-6-13/h3-10H,2,11,19H2,1H3