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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-(2-oxanylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3CCCCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3CCCCO3

InChI

InChI=1S/C19H28N4O2S/c1-19(2,3)14-7-9-15(10-8-14)25-12-17-21-22-18(23(17)20)26-13-16-6-4-5-11-24-16/h7-10,16H,4-6,11-13,20H2,1-3H3