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

Systemtic Name: 2-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-isopropylphenyl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(4-propan-2-ylphenyl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(4-propan-2-ylphenyl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[(p-cumenylthio)methyl]quinazolin-3-yl]acetonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H19N3OS/c1-14(2)15-7-9-16(10-8-15)25-13-19-22-18-6-4-3-5-17(18)20(24)23(19)12-11-21/h3-10,14H,12-13H2,1-2H3