4-[1-[2-chloranyl-3-[(E)-2-methoxyethenyl]-4-methylsulfonyl-phenyl]-1-oxidanylidene-propan-2-yl]-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[1-[2-chloranyl-3-[(E)-2-methoxyethenyl]-4-methylsulfonyl-phenyl]-1-oxidanylidene-propan-2-yl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[2-[2-chloro-3-[(E)-2-methoxyvinyl]-4-methylsulfonyl-phenyl]-1-methyl-2-oxo-ethyl]-1,2-dihydropyrazol-3-one CAS Name: 4-[1-[2-chloro-3-[(E)-2-methoxyethenyl]-4-methylsulfonylphenyl]-1-oxopropan-2-yl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-[1-[2-chloro-3-[(E)-2-methoxyethenyl]-4-methylsulfonylphenyl]-1-oxopropan-2-yl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[2-[2-chloro-4-mesyl-3-[(E)-2-methoxyvinyl]phenyl]-2-keto-1-methyl-ethyl]-3-pyrazolin-3-one Formula: C16H17ClN2O5S MolecularWeight: 384.83458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNNC1=O)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C=COC)Cl

Isomeric SMILES

CC(C1=CNNC1=O)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)/C=C/OC)Cl

InChI

InChI=1S/C16H17ClN2O5S/c1-9(12-8-18-19-16(12)21)15(20)11-4-5-13(25(3,22)23)10(14(11)17)6-7-24-2/h4-9H,1-3H3,(H2,18,19,21)/b7-6+