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

Systemtic Name: 4-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]butyronitrile Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCCCC#N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCCCC#N

InChI

InChI=1S/C16H19N3OS/c1-3-12(2)19-15(20)13-8-4-5-9-14(13)18-16(19)21-11-7-6-10-17/h4-5,8-9,12H,3,6-7,11H2,1-2H3/t12-/m0/s1