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

Systemtic Name: 4-(1-benzothiophen-2-ylcarbonyl)-2-methyl-5-propyl-pyrazol-3-olate Openeye Name: 4-(benzothiophene-2-carbonyl)-2-methyl-5-propyl-pyrazol-3-olate CAS Name: 4-[1-benzothiophen-2-yl(oxo)methyl]-2-methyl-5-propyl-3-pyrazololate IUPAC Name: 4-(1-benzothiophene-2-carbonyl)-2-methyl-5-propylpyrazol-3-olate Traditional Name: 4-(benzothiophene-2-carbonyl)-2-methyl-5-propyl-pyrazol-3-olate Formula: C16H15N2O2S- MolecularWeight: 299.3675

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)C2=CC3=CC=CC=C3S2)[O-])C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)C2=CC3=CC=CC=C3S2)[O-])C

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/h4-5,7-9,20H,3,6H2,1-2H3/p-1