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

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-(2-fluorophenyl)amine Formula: C21H24FN3S2 MolecularWeight: 401.563763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC3=CC=CC=C3F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC3=CC=CC=C3F)C)C(C)(C)C

InChI

InChI=1S/C21H24FN3S2/c1-13-10-15(21(3,4)5)11-14(2)16(13)12-26-20-25-24-19(27-20)23-18-9-7-6-8-17(18)22/h6-11H,12H2,1-5H3,(H,23,24)