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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(C=C3)F

InChI

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