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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(2-methylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(o-tolyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(2-methylphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-(o-tolyl)-4-phenyl-1,2,4-triazole Formula: C22H17ClFN3S MolecularWeight: 409.906883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H17ClFN3S/c1-15-8-5-6-11-17(15)21-25-26-22(27(21)16-9-3-2-4-10-16)28-14-18-19(23)12-7-13-20(18)24/h2-13H,14H2,1H3