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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C21H32N6OS MolecularWeight: 416.58338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

InChI

InChI=1S/C21H32N6OS/c1-4-5-6-7-8-9-11-20-24-25-21(29-20)23-19(28)13-12-18-16(2)26-27(17(18)3)15-10-14-22/h4-13,15H2,1-3H3,(H,23,25,28)