4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-2-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-olate

Systemtic Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-2-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-olate Openeye Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-2-[5-(3-nitrophenyl)thiazol-2-yl]pyrazol-3-olate CAS Name: 4-[(1S)-2,2-dicyano-1-phenylethyl]-5-methyl-2-[5-(3-nitrophenyl)-2-thiazolyl]-3-pyrazololate IUPAC Name: 4-[(1S)-2,2-dicyano-1-phenylethyl]-5-methyl-2-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-olate Traditional Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-2-[5-(3-nitrophenyl)thiazol-2-yl]pyrazol-3-olate Formula: C23H15N6O3S- MolecularWeight: 455.4686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(C2=CC=CC=C2)C(C#N)C#N)[O-])C3=NC=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1[C@H](C2=CC=CC=C2)C(C#N)C#N)[O-])C3=NC=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N6O3S/c1-14-20(21(17(11-24)12-25)15-6-3-2-4-7-15)22(30)28(27-14)23-26-13-19(33-23)16-8-5-9-18(10-16)29(31)32/h2-10,13,17,21,30H,1H3/p-1/t21-/m1/s1