4-[(1S,2R)-3-azanyl-2-cyano-3-oxidanylidene-1-phenyl-propyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-olate

Systemtic Name: 4-[(1S,2R)-3-azanyl-2-cyano-3-oxidanylidene-1-phenyl-propyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-olate Openeye Name: 4-[(1S,2R)-3-amino-2-cyano-3-oxo-1-phenyl-propyl]-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]pyrazol-3-olate CAS Name: 4-[(1S,2R)-3-amino-2-cyano-3-oxo-1-phenylpropyl]-5-methyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-pyrazololate IUPAC Name: 4-[(1S,2R)-3-amino-2-cyano-3-oxo-1-phenylpropyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyrazol-3-olate Traditional Name: 4-[(1S,2R)-3-amino-2-cyano-3-keto-1-phenyl-propyl]-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]pyrazol-3-olate Formula: C23H17N6O4S- MolecularWeight: 473.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(C2=CC=CC=C2)C(C#N)C(=O)N)[O-])C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1[C@H](C2=CC=CC=C2)[C@H](C#N)C(=O)N)[O-])C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O4S/c1-13-19(20(17(11-24)21(25)30)14-6-3-2-4-7-14)22(31)28(27-13)23-26-18(12-34-23)15-8-5-9-16(10-15)29(32)33/h2-10,12,17,20,31H,1H3,(H2,25,30)/p-1/t17-,20+/m0/s1