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

Systemtic Name: 2-[[4-azanyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[[4-amino-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H31N5O2S/c1-17(22(30)26-15-14-18-8-6-5-7-9-18)32-23-28-27-21(29(23)25)16-31-20-12-10-19(11-13-20)24(2,3)4/h5-13,17H,14-16,25H2,1-4H3,(H,26,30)