4-[2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanylethoxy]benzonitrile CAS Name: 4-[2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]ethoxy]benzonitrile Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCOC3=CC=C(C=C3)C#N)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCOC3=CC=C(C=C3)C#N)CC4=CN=CC=C4

InChI

InChI=1S/C23H18N4O2S/c24-14-17-7-9-19(10-8-17)29-12-13-30-23-26-21-6-2-1-5-20(21)22(28)27(23)16-18-4-3-11-25-15-18/h1-11,15H,12-13,16H2