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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C19H21N5O2S/c1-12-15(13(2)24(23-12)10-4-9-20)6-8-18(25)22-19-21-16-7-5-14(26-3)11-17(16)27-19/h5,7,11H,4,6,8,10H2,1-3H3,(H,21,22,25)