(2S)-3-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile

Systemtic Name: (2S)-3-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2S)-3-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2S)-3-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2S)-3-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2S)-3-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C18H14ClN3OS MolecularWeight: 355.84126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl)C#N

Isomeric SMILES

C[C@H](CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C18H14ClN3OS/c1-12(10-20)11-24-18-21-15-8-4-2-6-13(15)17(23)22(18)16-9-5-3-7-14(16)19/h2-9,12H,11H2,1H3/t12-/m0/s1