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

Systemtic Name: 4-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(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=C(C=C3)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

InChI

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