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

Systemtic Name: 4-[2-chloranyl-3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-phenyl]morpholine-2-carbonitrile Openeye Name: 4-[2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-phenyl]morpholine-2-carbonitrile CAS Name: 4-[2-chloro-3-[(2-ethyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-6-methylsulfonylphenyl]-2-morpholinecarbonitrile IUPAC Name: 4-[2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylphenyl]morpholine-2-carbonitrile Traditional Name: 4-[2-chloro-3-(1-ethyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-phenyl]morpholine-2-carbonitrile Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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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)N3CCOC(C3)C#N)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCOC(C3)C#N)Cl

InChI

InChI=1S/C18H19ClN4O5S/c1-3-23-18(25)13(9-21-23)17(24)12-4-5-14(29(2,26)27)16(15(12)19)22-6-7-28-11(8-20)10-22/h4-5,9,11,21H,3,6-7,10H2,1-2H3