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

Systemtic Name: 2-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

InChI

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