N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H21N3O2S2/c1-14-18(20(26)24(23(14)2)17-6-4-3-5-7-17)22-19(25)15-8-10-16(11-9-15)21-27-12-13-28-21/h3-11,21H,12-13H2,1-2H3,(H,22,25)