2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-(2-isopropylpyrazol-3-yl)acetamide CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-N-(2-isopropylpyrazol-3-yl)acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC2=CC=NN2C(C)C)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC2=CC=NN2C(C)C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N5O3S/c1-4-25-16(15-5-6-17-18(11-15)29-10-9-28-17)12-22-21(25)30-13-20(27)24-19-7-8-23-26(19)14(2)3/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,24,27)