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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-methyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-5-methyl-4-(p-tolyl)-1,2,4-triazole Formula: C17H15ClFN3S MolecularWeight: 347.837503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)F)Cl)C

InChI

InChI=1S/C17H15ClFN3S/c1-11-3-7-15(8-4-11)22-12(2)20-21-17(22)23-10-13-5-6-14(19)9-16(13)18/h3-9H,10H2,1-2H3