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

Systemtic Name: 3-[(4-propan-2-ylphenoxy)methyl]-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-isopropylphenoxy)methyl]-5-[(4-isopropylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-propan-2-ylphenoxy)methyl]-5-[(4-propan-2-ylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-propan-2-ylphenoxy)methyl]-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-isopropylbenzyl)thio]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C22H28N4OS MolecularWeight: 396.54892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c1-15(2)18-7-5-17(6-8-18)14-28-22-25-24-21(26(22)23)13-27-20-11-9-19(10-12-20)16(3)4/h5-12,15-16H,13-14,23H2,1-4H3