2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS2/c1-14-17(15(2)25(24-14)16-8-4-3-5-9-16)12-22-20(26)13-27-21-23-18-10-6-7-11-19(18)28-21/h3-11H,12-13H2,1-2H3,(H,22,26)