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

Systemtic Name: (2S)-3-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2S)-3-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2S)-3-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2S)-3-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2S)-3-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

C[C@H](CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C19H16ClN3O2S/c1-12(10-21)11-26-19-22-16-6-4-3-5-14(16)18(24)23(19)13-7-8-17(25-2)15(20)9-13/h3-9,12H,11H2,1-2H3/t12-/m0/s1