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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-morpholin-4-yl-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-morpholino-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(4-morpholinyl)-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-morpholin-4-yl-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-3-keto-4-methyl-5-morpholino-pyrazolo[4,3-c]pyridin-6-olate Formula: C18H16N5NaO3S MolecularWeight: 405.40611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1N5CCOCC5)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1N5CCOCC5)[O-].[Na+]

InChI

InChI=1S/C18H17N5O3S.Na/c1-11-16-13(10-15(24)23(11)21-6-8-26-9-7-21)20-22(17(16)25)18-19-12-4-2-3-5-14(12)27-18;/h2-5,10,24H,6-9H2,1H3;/q;+1/p-1