2-[2-chloranyl-3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-phenyl]ethanenitrile

Systemtic Name: 2-[2-chloranyl-3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-phenyl]ethanenitrile Openeye Name: 2-[2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-phenyl]acetonitrile CAS Name: 2-[2-chloro-3-[(2-ethyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-6-methylsulfonylphenyl]acetonitrile IUPAC Name: 2-[2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylphenyl]acetonitrile Traditional Name: 2-[2-chloro-3-(1-ethyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-phenyl]acetonitrile Formula: C15H14ClN3O4S MolecularWeight: 367.80736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)CC#N)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)CC#N)Cl

InChI

InChI=1S/C15H14ClN3O4S/c1-3-19-15(21)11(8-18-19)14(20)10-4-5-12(24(2,22)23)9(6-7-17)13(10)16/h4-5,8,18H,3,6H2,1-2H3