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

Systemtic Name: (2S)-3-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2S)-3-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2S)-3-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2S)-3-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2S)-3-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-13(11-21)12-27-20-22-16-7-5-4-6-15(16)19(24)23(20)14-8-9-17(25-2)18(10-14)26-3/h4-10,13H,12H2,1-3H3/t13-/m0/s1