5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-4-methyl-5-piperonyl-pyrazolo[4,3-c]pyridin-6-olate Formula: C22H15N4O4S- MolecularWeight: 431.4439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC6=C(C=C5)OCO6)[O-]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC6=C(C=C5)OCO6)[O-]

InChI

InChI=1S/C22H16N4O4S/c1-12-20-15(24-26(21(20)28)22-23-14-4-2-3-5-18(14)31-22)9-19(27)25(12)10-13-6-7-16-17(8-13)30-11-29-16/h2-9,27H,10-11H2,1H3/p-1