3-[[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C23H17N3OS MolecularWeight: 383.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3OS/c1-16-9-11-19(12-10-16)26-22(27)20-7-2-3-8-21(20)25-23(26)28-15-18-6-4-5-17(13-18)14-24/h2-13H,15H2,1H3