(2R)-2-methyl-3-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-propanenitrile

Systemtic Name: (2R)-2-methyl-3-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-propanenitrile Openeye Name: (2R)-3-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-2-methyl-3-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-2-methyl-3-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-3-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-2-methyl-propionitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(C)C#N

Isomeric SMILES

C[C@@H](CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(C)C)C#N

InChI

InChI=1S/C21H21N3OS/c1-14(2)16-8-5-7-11-19(16)24-20(25)17-9-4-6-10-18(17)23-21(24)26-13-15(3)12-22/h4-11,14-15H,13H2,1-3H3/t15-/m1/s1