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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C27H28FN3S MolecularWeight: 445.594723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28FN3S/c1-18-15-21(27(3,4)5)16-19(2)24(18)17-32-26-30-29-25(20-11-13-22(28)14-12-20)31(26)23-9-7-6-8-10-23/h6-16H,17H2,1-5H3