4-(1-benzothiophen-2-ylcarbonyl)-2-methyl-5-propyl-1H-pyrazol-3-one

Systemtic Name: 4-(1-benzothiophen-2-ylcarbonyl)-2-methyl-5-propyl-1H-pyrazol-3-one Openeye Name: 4-(benzothiophene-2-carbonyl)-2-methyl-5-propyl-1H-pyrazol-3-one CAS Name: 4-[1-benzothiophen-2-yl(oxo)methyl]-2-methyl-5-propyl-1H-pyrazol-3-one IUPAC Name: 4-(1-benzothiophene-2-carbonyl)-2-methyl-5-propyl-1H-pyrazol-3-one Traditional Name: 4-(benzothiophene-2-carbonyl)-2-methyl-5-propyl-3-pyrazolin-3-one Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C)C(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C)C(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2O2S/c1-3-6-11-14(16(20)18(2)17-11)15(19)13-9-10-7-4-5-8-12(10)21-13/h4-5,7-9,17H,3,6H2,1-2H3