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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(3-methylbutyl)-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-5-isopentyl-4-methyl-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(3-methylbutyl)-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(3-methylbutyl)-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-5-isoamyl-3-keto-4-methyl-pyrazolo[4,3-c]pyridin-6-olate Formula: C19H19N4NaO2S MolecularWeight: 390.43453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CCC(C)C)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CCC(C)C)[O-].[Na+]

InChI

InChI=1S/C19H20N4O2S.Na/c1-11(2)8-9-22-12(3)17-14(10-16(22)24)21-23(18(17)25)19-20-13-6-4-5-7-15(13)26-19;/h4-7,10-11,24H,8-9H2,1-3H3;/q;+1/p-1