1-[[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole

Systemtic Name: 1-[[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole Openeye Name: 1-[[5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole CAS Name: 1-[[5-[(2-chloro-6-fluorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole IUPAC Name: 1-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole Traditional Name: 1-[[5-[(2-chloro-6-fluoro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzotriazole Formula: C17H14ClFN6S MolecularWeight: 388.849663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H14ClFN6S/c1-24-16(9-25-15-8-3-2-7-14(15)20-23-25)21-22-17(24)26-10-11-12(18)5-4-6-13(11)19/h2-8H,9-10H2,1H3