3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C17H15ClFN3S MolecularWeight: 347.837503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H15ClFN3S/c1-2-11-6-8-12(9-7-11)16-20-17(22-21-16)23-10-13-14(18)4-3-5-15(13)19/h3-9H,2,10H2,1H3,(H,20,21,22)