3-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC#N)C

InChI

InChI=1S/C19H17N3OS/c1-13-10-14(2)12-15(11-13)22-18(23)16-6-3-4-7-17(16)21-19(22)24-9-5-8-20/h3-4,6-7,10-12H,5,9H2,1-2H3