2-methyl-4-[[3,3,4-trimethyl-1,1-bis(oxidanylidene)-2H-1-benzothiophen-5-yl]carbonyl]-1H-pyrazol-3-one

Systemtic Name: 2-methyl-4-[[3,3,4-trimethyl-1,1-bis(oxidanylidene)-2H-1-benzothiophen-5-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-methyl-4-(3,3,4-trimethyl-1,1-dioxo-2H-benzothiophene-5-carbonyl)-1H-pyrazol-3-one CAS Name: 2-methyl-4-[oxo-(3,3,4-trimethyl-1,1-dioxo-2H-1-benzothiophen-5-yl)methyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-(3,3,4-trimethyl-1,1-dioxo-2H-1-benzothiophene-5-carbonyl)-1H-pyrazol-3-one Traditional Name: 4-(1,1-diketo-3,3,4-trimethyl-2H-benzothiophene-5-carbonyl)-2-methyl-3-pyrazolin-3-one Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(CS2(=O)=O)(C)C)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CC1=C(C=CC2=C1C(CS2(=O)=O)(C)C)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C16H18N2O4S/c1-9-10(14(19)11-7-17-18(4)15(11)20)5-6-12-13(9)16(2,3)8-23(12,21)22/h5-7,17H,8H2,1-4H3