2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C24H27N5O4S MolecularWeight: 481.56728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C5=CC=NC=C5

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C5=CC=NC=C5

InChI

InChI=1S/C24H27N5O4S/c1-31-14-13-29-22(17-7-11-25-12-8-17)27-28-23(29)34-16-21(30)26-18-5-6-19-20(15-18)33-24(32-19)9-3-2-4-10-24/h5-8,11-12,15H,2-4,9-10,13-14,16H2,1H3,(H,26,30)