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

Systemtic Name: 3-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[3-[2-(2,4-dichlorophenyl)ethyl]-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C19H15Cl2N3OS MolecularWeight: 404.3129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N3OS/c20-14-7-6-13(16(21)12-14)8-10-24-18(25)15-4-1-2-5-17(15)23-19(24)26-11-3-9-22/h1-2,4-7,12H,3,8,10-11H2