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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C16H13ClFN3S MolecularWeight: 333.810923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3S/c1-11-19-20-16(21(11)14-5-3-2-4-6-14)22-10-12-7-8-13(18)9-15(12)17/h2-9H,10H2,1H3