3-(4-tert-butylphenyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-tert-butylphenyl)-5-[(2-chloro-6-fluoro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C19H20ClFN4S MolecularWeight: 390.905303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20ClFN4S/c1-19(2,3)13-9-7-12(8-10-13)17-23-24-18(25(17)22)26-11-14-15(20)5-4-6-16(14)21/h4-10H,11,22H2,1-3H3