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

Systemtic Name: 4-[[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]methyl]benzonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19N3OS/c1-3-14(2)23-19(24)17-6-4-5-7-18(17)22-20(23)25-13-16-10-8-15(12-21)9-11-16/h4-11,14H,3,13H2,1-2H3/t14-/m0/s1