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

Systemtic Name: (2S)-2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-ethyl-N-phenyl-propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)SC2=NN=C(N2N)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H25N5O2S/c1-4-25(17-9-7-6-8-10-17)20(27)15(3)29-21-24-23-19(26(21)22)16-11-13-18(14-12-16)28-5-2/h6-15H,4-5,22H2,1-3H3/t15-/m0/s1