2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methyl-carbonimidoyl)-5-(2-methoxy-2-oxidanylidene-ethyl)pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methyl-carbonimidoyl)-5-(2-methoxy-2-oxidanylidene-ethyl)pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methyl-carbonimidoyl)-5-(2-methoxy-2-oxo-ethyl)pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(1-cyanoiminoethyl)-5-(2-methoxy-2-oxoethyl)-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methylcarbonimidoyl)-5-(2-methoxy-2-oxoethyl)pyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyano-C-methyl-carbonimidoyl)-5-(2-keto-2-methoxy-ethyl)pyrazol-3-olate Formula: C16H12N5O3S- MolecularWeight: 354.36318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC#N)C1=C(N(N=C1CC(=O)OC)C2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CC(=NC#N)C1=C(N(N=C1CC(=O)OC)C2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C16H13N5O3S/c1-9(18-8-17)14-11(7-13(22)24-2)20-21(15(14)23)16-19-10-5-3-4-6-12(10)25-16/h3-6,23H,7H2,1-2H3/p-1