3-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S2/c1-14-19(20(27)25(24(14)2)15-8-4-3-5-9-15)23-18(26)12-13-28-21-22-16-10-6-7-11-17(16)29-21/h3-11H,12-13H2,1-2H3,(H,23,26)