(2S)-2-ethanimidoyl-4-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H20N4O2S/c1-11(2)9-22-17(24)13-6-4-5-7-15(13)21-18(22)25-10-16(23)14(8-19)12(3)20/h4-7,11,14,20H,9-10H2,1-3H3/t14-/m1/s1