2-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide

Systemtic Name: 2-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide Openeye Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide CAS Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-tert-butylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylpropanamide Traditional Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-tert-butyl-propionamide Formula: C20H31N5O2S MolecularWeight: 405.55744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1N)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H31N5O2S/c1-13(17(26)22-20(5,6)7)28-18-24-23-16(25(18)21)12-27-15-10-8-14(9-11-15)19(2,3)4/h8-11,13H,12,21H2,1-7H3,(H,22,26)