3-[2-chloranyl-3-[(2,5-dimethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-phenyl]-4,5-dihydro-1,2-oxazole-5-carbonitrile

Systemtic Name: 3-[2-chloranyl-3-[(2,5-dimethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-phenyl]-4,5-dihydro-1,2-oxazole-5-carbonitrile Openeye Name: 3-[2-chloro-3-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-phenyl]-4,5-dihydroisoxazole-5-carbonitrile CAS Name: 3-[2-chloro-3-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-6-methylsulfonylphenyl]-4,5-dihydroisoxazole-5-carbonitrile IUPAC Name: 3-[2-chloro-3-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylphenyl]-4,5-dihydro-1,2-oxazole-5-carbonitrile Traditional Name: 3-[2-chloro-3-(5-keto-1,3-dimethyl-3-pyrazoline-4-carbonyl)-6-mesyl-phenyl]-2-isoxazoline-5-carbonitrile Formula: C17H15ClN4O5S MolecularWeight: 422.8428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=NOC(C3)C#N)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=NOC(C3)C#N)Cl

InChI

InChI=1S/C17H15ClN4O5S/c1-8-13(17(24)22(2)20-8)16(23)10-4-5-12(28(3,25)26)14(15(10)18)11-6-9(7-19)27-21-11/h4-5,9,20H,6H2,1-3H3