3-[(4-tert-butylphenoxy)methyl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCCC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCCC3=CC=NC=C3

InChI

InChI=1S/C20H25N5OS/c1-20(2,3)16-4-6-17(7-5-16)26-14-18-23-24-19(25(18)21)27-13-10-15-8-11-22-12-9-15/h4-9,11-12H,10,13-14,21H2,1-3H3