(1-chloranyl-2-ethyl-4-methylsulfonyl-3-oxidanyl-3H-pyrazol-5-yl)-[3-(prop-2-ynoxymethyl)phenyl]methanone

Systemtic Name: (1-chloranyl-2-ethyl-4-methylsulfonyl-3-oxidanyl-3H-pyrazol-5-yl)-[3-(prop-2-ynoxymethyl)phenyl]methanone Openeye Name: (1-chloro-2-ethyl-3-hydroxy-4-methylsulfonyl-3H-pyrazol-5-yl)-[3-(prop-2-ynoxymethyl)phenyl]methanone CAS Name: (1-chloro-2-ethyl-3-hydroxy-4-methylsulfonyl-3H-pyrazol-5-yl)-[3-(prop-2-ynoxymethyl)phenyl]methanone IUPAC Name: (1-chloro-2-ethyl-3-hydroxy-4-methylsulfonyl-3H-pyrazol-5-yl)-[3-(prop-2-ynoxymethyl)phenyl]methanone Traditional Name: (2-chloro-1-ethyl-5-hydroxy-4-mesyl-3-pyrazolin-3-yl)-[3-(propargyloxymethyl)phenyl]methanone Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(N1Cl)C(=O)C2=CC(=CC=C2)COCC#C)S(=O)(=O)C)O

Isomeric SMILES

CCN1C(C(=C(N1Cl)C(=O)C2=CC(=CC=C2)COCC#C)S(=O)(=O)C)O

InChI

InChI=1S/C17H19ClN2O5S/c1-4-9-25-11-12-7-6-8-13(10-12)15(21)14-16(26(3,23)24)17(22)19(5-2)20(14)18/h1,6-8,10,17,22H,5,9,11H2,2-3H3