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

Systemtic Name: 3-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H16N4OS MolecularWeight: 384.45364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)CC4=CN=CC=C4

InChI

InChI=1S/C22H16N4OS/c23-12-16-5-3-6-17(11-16)15-28-22-25-20-9-2-1-8-19(20)21(27)26(22)14-18-7-4-10-24-13-18/h1-11,13H,14-15H2