2-(1,3-benzothiazol-2-yl)-4-[(1R)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(1R)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(1R)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(1R)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(1R)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methylpyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(1R)-2,2-dicyano-1-(3-nitrophenyl)ethyl]-5-methyl-pyrazol-3-olate Formula: C21H13N6O3S- MolecularWeight: 429.43132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C#N)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=C1[C@@H](C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C#N)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14N6O3S/c1-12-18(19(14(10-22)11-23)13-5-4-6-15(9-13)27(29)30)20(28)26(25-12)21-24-16-7-2-3-8-17(16)31-21/h2-9,14,19,28H,1H3/p-1/t19-/m0/s1