3-[(4-tert-butylphenoxy)methyl]-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-[(1,3-diphenylpyrazol-4-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C29H30N6OS MolecularWeight: 510.6531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N6OS/c1-29(2,3)23-14-16-25(17-15-23)36-19-26-31-32-28(35(26)30)37-20-22-18-34(24-12-8-5-9-13-24)33-27(22)21-10-6-4-7-11-21/h4-18H,19-20,30H2,1-3H3