4-[2,4-bis(fluoranyl)phenyl]-3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-[2,4-bis(fluoranyl)phenyl]-3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazole Formula: C27H27F2N3S MolecularWeight: 463.585186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=C(C=C(C=C3)F)F)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=C(C=C(C=C3)F)F)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C27H27F2N3S/c1-17-13-20(27(3,4)5)14-18(2)22(17)16-33-26-31-30-25(19-9-7-6-8-10-19)32(26)24-12-11-21(28)15-23(24)29/h6-15H,16H2,1-5H3