2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]propanenitrile IUPAC Name: 2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]propionitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

Isomeric SMILES

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3OS/c1-15(14-21)25-20-22-18-12-6-5-11-17(18)19(24)23(20)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,15H,7,10,13H2,1H3