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

Systemtic Name: 4-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C22H23N3OS/c1-2-3-8-17-11-13-18(14-12-17)25-21(26)19-9-4-5-10-20(19)24-22(25)27-16-7-6-15-23/h4-5,9-14H,2-3,6-8,16H2,1H3