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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H30N4OS/c1-16(2)18-8-12-20(13-9-18)28-14-21-25-26-22(27(21)24)29-15-17-6-10-19(11-7-17)23(3,4)5/h6-13,16H,14-15,24H2,1-5H3