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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NC(=NN2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1CC2=NC(=NN2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3S/c1-12-4-2-3-5-14(12)10-16-19-17(21-20-16)22-11-13-6-8-15(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,20,21)