4-[4-oxidanylidene-2-(2-phenoxyethylsulfanyl)quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-(2-phenoxyethylsulfanyl)quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-(2-phenoxyethylsulfanyl)quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-(2-phenoxyethylthio)-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-(2-phenoxyethylsulfanyl)quinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-(2-phenoxyethylthio)quinazolin-3-yl]benzonitrile Formula: C23H17N3O2S MolecularWeight: 399.46498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17N3O2S/c24-16-17-10-12-18(13-11-17)26-22(27)20-8-4-5-9-21(20)25-23(26)29-15-14-28-19-6-2-1-3-7-19/h1-13H,14-15H2