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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]propanamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C

InChI

InChI=1S/C22H27N5OS/c1-4-5-7-17-8-10-19-20(14-17)29-22(24-19)25-21(28)11-9-18-15(2)26-27(16(18)3)13-6-12-23/h8,10,14H,4-7,9,11,13H2,1-3H3,(H,24,25,28)