4-[6-chloranyl-1-(methoxymethyl)-4-methylsulfonyl-cyclohexa-2,4-dien-1-yl]carbonyl-2-propan-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-[6-chloranyl-1-(methoxymethyl)-4-methylsulfonyl-cyclohexa-2,4-dien-1-yl]carbonyl-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 4-[6-chloro-1-(methoxymethyl)-4-methylsulfonyl-cyclohexa-2,4-diene-1-carbonyl]-2-isopropyl-1H-pyrazol-3-one CAS Name: 4-[[6-chloro-1-(methoxymethyl)-4-methylsulfonyl-1-cyclohexa-2,4-dienyl]-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-[6-chloro-1-(methoxymethyl)-4-methylsulfonylcyclohexa-2,4-diene-1-carbonyl]-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 4-[6-chloro-4-mesyl-1-(methoxymethyl)cyclohexa-2,4-diene-1-carbonyl]-2-isopropyl-3-pyrazolin-3-one Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=CN1)C(=O)C2(C=CC(=CC2Cl)S(=O)(=O)C)COC

Isomeric SMILES

CC(C)N1C(=O)C(=CN1)C(=O)C2(C=CC(=CC2Cl)S(=O)(=O)C)COC

InChI

InChI=1S/C16H21ClN2O5S/c1-10(2)19-15(21)12(8-18-19)14(20)16(9-24-3)6-5-11(7-13(16)17)25(4,22)23/h5-8,10,13,18H,9H2,1-4H3