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

Systemtic Name: 2-[4-oxidanylidene-2-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H19N5O2S/c1-14(2)27-21(29)16-8-4-6-10-18(16)25-22(27)30-13-19-24-17-9-5-3-7-15(17)20(28)26(19)12-11-23/h3-10,14H,12-13H2,1-2H3