3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole Formula: C21H17ClFN3OS2 MolecularWeight: 445.960583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=CS4

InChI

InChI=1S/C21H17ClFN3OS2/c1-13-8-9-18(27-2)17(11-13)26-20(19-7-4-10-28-19)24-25-21(26)29-12-14-15(22)5-3-6-16(14)23/h3-11H,12H2,1-2H3