(2S)-3-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-methyl-propanenitrile

Systemtic Name: (2S)-3-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-methyl-propanenitrile Openeye Name: (2S)-3-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-2-methyl-propanenitrile CAS Name: (2S)-3-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-2-methylpropanenitrile IUPAC Name: (2S)-3-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-2-methylpropanenitrile Traditional Name: (2S)-3-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-2-methyl-propionitrile Formula: C18H20ClN3OS MolecularWeight: 361.8889

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3)C#N

Isomeric SMILES

C[C@H](CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3)C#N

InChI

InChI=1S/C18H20ClN3OS/c1-12(10-20)11-24-18-21-16-9-13(19)7-8-15(16)17(23)22(18)14-5-3-2-4-6-14/h7-9,12,14H,2-6,11H2,1H3/t12-/m0/s1