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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C#N

InChI

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