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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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