1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole

Systemtic Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole Openeye Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole CAS Name: 1-[[5-[(4-fluorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole IUPAC Name: 1-[[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole Traditional Name: 1-[[5-[(4-fluorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole Formula: C17H15FN6S MolecularWeight: 354.404603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)F)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)F)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H15FN6S/c1-23-16(10-24-15-5-3-2-4-14(15)19-22-24)20-21-17(23)25-11-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3