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

Systemtic Name: 4-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C24H19N3OS MolecularWeight: 397.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C24H19N3OS/c1-16-11-17(2)13-20(12-16)27-23(28)21-5-3-4-6-22(21)26-24(27)29-15-19-9-7-18(14-25)8-10-19/h3-13H,15H2,1-2H3