(2S)-2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C17H25N5OS MolecularWeight: 347.4783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C17H25N5OS/c1-6-19-15(23)11(2)24-16-21-20-14(22(16)18)12-7-9-13(10-8-12)17(3,4)5/h7-11H,6,18H2,1-5H3,(H,19,23)/t11-/m0/s1