sodium 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methyl-carbonimidoyl)-5-phenyl-pyrazol-3-olate

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methyl-carbonimidoyl)-5-phenyl-pyrazol-3-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methyl-carbonimidoyl)-5-phenyl-pyrazol-3-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4-(1-cyanoiminoethyl)-5-phenyl-3-pyrazololate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methylcarbonimidoyl)-5-phenylpyrazol-3-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methyl-carbonimidoyl)-5-phenyl-pyrazol-3-olate Formula: C19H12N5NaOS MolecularWeight: 381.38625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC#N)C1=C(N(N=C1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3)[O-].[Na+]

Isomeric SMILES

CC(=NC#N)C1=C(N(N=C1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3)[O-].[Na+]

InChI

InChI=1S/C19H13N5OS.Na/c1-12(21-11-20)16-17(13-7-3-2-4-8-13)23-24(18(16)25)19-22-14-9-5-6-10-15(14)26-19;/h2-10,25H,1H3;/q;+1/p-1