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

Systemtic Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-2-(5-phenyl-1,3-thiazol-2-yl)pyrazol-3-olate Openeye Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-2-(5-phenylthiazol-2-yl)pyrazol-3-olate CAS Name: 4-[(1S)-2,2-dicyano-1-phenylethyl]-5-methyl-2-(5-phenyl-2-thiazolyl)-3-pyrazololate IUPAC Name: 4-[(1S)-2,2-dicyano-1-phenylethyl]-5-methyl-2-(5-phenyl-1,3-thiazol-2-yl)pyrazol-3-olate Traditional Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-2-(5-phenylthiazol-2-yl)pyrazol-3-olate Formula: C23H16N5OS- MolecularWeight: 410.47104

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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

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

InChI

InChI=1S/C23H17N5OS/c1-15-20(21(18(12-24)13-25)17-10-6-3-7-11-17)22(29)28(27-15)23-26-14-19(30-23)16-8-4-2-5-9-16/h2-11,14,18,21,29H,1H3/p-1/t21-/m1/s1