2-[(E)-1-cyano-2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-1-cyano-2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]quinazolin-4-olate Formula: C24H14N5OS- MolecularWeight: 420.46586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C#N)C4=NC5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C(\C#N)/C4=NC5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C24H15N5OS/c25-14-16(23-26-20-10-5-4-9-19(20)24(30)27-23)13-17-15-29(18-7-2-1-3-8-18)28-22(17)21-11-6-12-31-21/h1-13,15H,(H,26,27,30)/p-1/b16-13+