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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-(3-fluorophenyl)-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)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

InChI

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