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

Systemtic Name: 4-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[7-chloro-3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[(7-chloro-4-keto-3-o-cumenyl-quinazolin-2-yl)thio]butyronitrile Formula: C21H20ClN3OS MolecularWeight: 397.921

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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=C2SCCCC#N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

InChI

InChI=1S/C21H20ClN3OS/c1-14(2)16-7-3-4-8-19(16)25-20(26)17-10-9-15(22)13-18(17)24-21(25)27-12-6-5-11-23/h3-4,7-10,13-14H,5-6,12H2,1-2H3