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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C)C

InChI

InChI=1S/C20H23N5OS/c1-12-10-13(2)19-17(11-12)27-20(23-19)22-18(26)7-6-16-14(3)24-25(15(16)4)9-5-8-21/h10-11H,5-7,9H2,1-4H3,(H,22,23,26)