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

Systemtic Name: 4-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]butyronitrile 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=C2SCCCC#N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C21H21N3OS/c1-15(2)16-9-4-6-12-19(16)24-20(25)17-10-3-5-11-18(17)23-21(24)26-14-8-7-13-22/h3-6,9-12,15H,7-8,14H2,1-2H3