3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C

InChI

InChI=1S/C20H23N5O2S/c1-4-27-15-6-8-17-18(12-15)28-20(22-17)23-19(26)9-7-16-13(2)24-25(14(16)3)11-5-10-21/h6,8,12H,4-5,7,9,11H2,1-3H3,(H,22,23,26)