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

Systemtic Name: 4-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N)C

InChI

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