4-[(1R)-2,2-dicyano-1-thiophen-3-yl-ethyl]-5-phenyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(1R)-2,2-dicyano-1-thiophen-3-yl-ethyl]-5-phenyl-1H-pyrazol-3-olate Openeye Name: 4-[(1R)-2,2-dicyano-1-(3-thienyl)ethyl]-5-phenyl-1H-pyrazol-3-olate CAS Name: 4-[(1R)-2,2-dicyano-1-(3-thiophenyl)ethyl]-5-phenyl-1H-pyrazol-3-olate IUPAC Name: 4-[(1R)-2,2-dicyano-1-thiophen-3-ylethyl]-5-phenyl-1H-pyrazol-3-olate Traditional Name: 4-[(1R)-2,2-dicyano-1-(3-thienyl)ethyl]-5-phenyl-1H-pyrazol-3-olate Formula: C17H11N4OS- MolecularWeight: 319.36044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2)[O-])C(C3=CSC=C3)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2)[O-])[C@H](C3=CSC=C3)C(C#N)C#N

InChI

InChI=1S/C17H12N4OS/c18-8-13(9-19)14(12-6-7-23-10-12)15-16(20-21-17(15)22)11-4-2-1-3-5-11/h1-7,10,13-14H,(H2,20,21,22)/p-1/t14-/m1/s1