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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-[(3-morpholinosulfonylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C24H31N5O4S2 MolecularWeight: 517.66404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H31N5O4S2/c1-24(2,3)19-7-9-20(10-8-19)33-16-22-26-27-23(29(22)25)34-17-18-5-4-6-21(15-18)35(30,31)28-11-13-32-14-12-28/h4-10,15H,11-14,16-17,25H2,1-3H3