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

Systemtic Name: 2-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylsulfonylbenzamide Traditional Name: 2-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-mesyl-benzamide Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-12-17(19(25)23(22(12)2)13-7-5-4-6-8-13)21-18(24)15-11-14(28(3,26)27)9-10-16(15)20/h4-11H,1-3H3,(H,21,24)