5-(4-ethylphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-ethylphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-ethylphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-ethylphenyl)-3-[(2-fluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-ethylphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-ethylphenyl)-3-[(2-fluorobenzyl)thio]-1H-1,2,4-triazole Formula: C17H16FN3S MolecularWeight: 313.392443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3F

InChI

InChI=1S/C17H16FN3S/c1-2-12-7-9-13(10-8-12)16-19-17(21-20-16)22-11-14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,19,20,21)