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

Systemtic Name: 2-[[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C28H19N3O2S MolecularWeight: 461.53436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5C#N

InChI

InChI=1S/C28H19N3O2S/c29-18-20-8-4-5-9-21(20)19-34-28-30-26-13-7-6-12-25(26)27(32)31(28)22-14-16-24(17-15-22)33-23-10-2-1-3-11-23/h1-17H,19H2