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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-tert-butylphenyl)-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-tert-butylphenyl)-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-tert-butylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-tert-butylphenyl)-5-[(3-morpholinosulfonylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C23H29N5O3S2 MolecularWeight: 487.63806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H29N5O3S2/c1-23(2,3)19-9-7-18(8-10-19)21-25-26-22(28(21)24)32-16-17-5-4-6-20(15-17)33(29,30)27-11-13-31-14-12-27/h4-10,15H,11-14,16,24H2,1-3H3