2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-ethanamide

Systemtic Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-ethanamide Openeye Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-acetamide CAS Name: 2-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-ethylacetamide IUPAC Name: 2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide Traditional Name: 2-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-acetamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCNC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H29N5O4S2/c1-2-22-19(27)15-31-21-24-23-20(26(21)17-7-3-4-8-17)16-6-5-9-18(14-16)32(28,29)25-10-12-30-13-11-25/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3,(H,22,27)