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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C20H23FN4OS MolecularWeight: 386.486223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)COC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)COC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4OS/c1-20(2,3)15-6-4-14(5-7-15)13-27-19-24-23-18(25(19)22)12-26-17-10-8-16(21)9-11-17/h4-11H,12-13,22H2,1-3H3