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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC

InChI

InChI=1S/C20H23N5O3S/c1-12-14(13(2)25(24-12)9-5-8-21)6-7-19(26)23-20-22-15-10-16(27-3)17(28-4)11-18(15)29-20/h10-11H,5-7,9H2,1-4H3,(H,22,23,26)