(2R)-3-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2R)-2-methyl-3-[3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanenitrile CAS Name: (2R)-3-[[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2R)-3-[[4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(C)C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H](C)C#N

InChI

InChI=1S/C22H23N3OS/c1-4-16(3)17-9-11-18(12-10-17)25-21(26)19-7-5-6-8-20(19)24-22(25)27-14-15(2)13-23/h5-12,15-16H,4,14H2,1-3H3/t15-,16+/m1/s1