3-[[(5-ethanoyl-3-methyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]carbamoyl]-1-phenyl-pyrazol-4-olate

Systemtic Name: 3-[[(5-ethanoyl-3-methyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]carbamoyl]-1-phenyl-pyrazol-4-olate Openeye Name: 3-[[(5-acetyl-3-methyl-thieno[2,3-b]pyridine-2-carbonyl)amino]carbamoyl]-1-phenyl-pyrazol-4-olate CAS Name: 3-[[[(5-acetyl-3-methyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]hydrazo]-oxomethyl]-1-phenyl-4-pyrazololate IUPAC Name: 3-[[(5-acetyl-3-methylthieno[2,3-b]pyridine-2-carbonyl)amino]carbamoyl]-1-phenylpyrazol-4-olate Traditional Name: 3-[[(5-acetyl-3-methyl-thieno[2,3-b]pyridine-2-carbonyl)amino]carbamoyl]-1-phenyl-pyrazol-4-olate Formula: C21H16N5O4S- MolecularWeight: 434.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=C(C=C12)C(=O)C)C(=O)NNC(=O)C3=NN(C=C3[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=C(C=C12)C(=O)C)C(=O)NNC(=O)C3=NN(C=C3[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4S/c1-11-15-8-13(12(2)27)9-22-21(15)31-18(11)20(30)24-23-19(29)17-16(28)10-26(25-17)14-6-4-3-5-7-14/h3-10,28H,1-2H3,(H,23,29)(H,24,30)/p-1