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

Systemtic Name: 3-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[3-(2,4-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(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC#N)C

Isomeric SMILES

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

InChI

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