2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C21H27N5O3S/c1-24(12-16-13-28-17-6-2-3-7-18(17)29-16)19(27)14-30-21-23-22-20(25-10-4-5-11-25)26(21)15-8-9-15/h2-3,6-7,15-16H,4-5,8-14H2,1H3