3-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[7-chloro-3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[(7-chloro-4-keto-3-o-cumenyl-quinazolin-2-yl)thio]propionitrile Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC#N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC#N

InChI

InChI=1S/C20H18ClN3OS/c1-13(2)15-6-3-4-7-18(15)24-19(25)16-9-8-14(21)12-17(16)23-20(24)26-11-5-10-22/h3-4,6-9,12-13H,5,11H2,1-2H3