2-[(E)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-(4-methylsulfanylphenyl)vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-[4-(methylthio)phenyl]ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-[4-(methylthio)phenyl]vinyl]quinazolin-4-olate Formula: C18H12N3OS- MolecularWeight: 318.37238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H13N3OS/c1-23-14-8-6-12(7-9-14)10-13(11-19)17-20-16-5-3-2-4-15(16)18(22)21-17/h2-10H,1H3,(H,20,21,22)/p-1/b13-10+