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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propionamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N5OS/c1-13-15(14(2)24(23-13)11-5-10-20)8-9-18(25)21-12-19-22-16-6-3-4-7-17(16)26-19/h3-4,6-7H,5,8-9,11-12H2,1-2H3,(H,21,25)