4-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[2-(2,4-dichlorophenyl)ethyl]-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C20H17Cl2N3OS MolecularWeight: 418.33948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)CCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)CCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3OS/c21-15-8-7-14(17(22)13-15)9-11-25-19(26)16-5-1-2-6-18(16)24-20(25)27-12-4-3-10-23/h1-2,5-8,13H,3-4,9,11-12H2