3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-tert-butylphenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C19H21FN4S MolecularWeight: 356.460243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN4S/c1-19(2,3)15-8-6-14(7-9-15)17-22-23-18(24(17)21)25-12-13-4-10-16(20)11-5-13/h4-11H,12,21H2,1-3H3