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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCC#N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCC#N

InChI

InChI=1S/C20H19N3OS/c1-14(2)15-8-4-6-11-18(15)23-19(24)16-9-3-5-10-17(16)22-20(23)25-13-7-12-21/h3-6,8-11,14H,7,13H2,1-2H3