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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]propanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2S/c1-12-16(13(2)26(25-12)10-4-9-21)6-8-19(28)24-20-23-17-7-5-15(22-14(3)27)11-18(17)29-20/h5,7,11H,4,6,8,10H2,1-3H3,(H,22,27)(H,23,24,28)