2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-ethyl-amino]-N-ethyl-ethanamide

Systemtic Name: 2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-ethyl-amino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethyl-amino]-N-ethyl-acetamide CAS Name: 2-[[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-ethylamino]-N-ethylacetamide IUPAC Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-ethylacetamide Traditional Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]-ethyl-amino]-N-ethyl-acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

CCNC(=O)CN(CC)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C20H27N5O2S/c1-3-21-17(26)13-24(4-2)18(27)14-28-20-23-22-19(16-10-11-16)25(20)12-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,21,26)