4-[3-[4-[(2S)-butan-2-yl]phenyl]-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[4-[(2S)-butan-2-yl]phenyl]-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[7-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[7-chloro-4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]butyronitrile Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

InChI

InChI=1S/C22H22ClN3OS/c1-3-15(2)16-6-9-18(10-7-16)26-21(27)19-11-8-17(23)14-20(19)25-22(26)28-13-5-4-12-24/h6-11,14-15H,3-5,13H2,1-2H3/t15-/m0/s1