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

Systemtic Name: 4-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C19H16ClN3OS MolecularWeight: 369.86784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC#N)Cl

InChI

InChI=1S/C19H16ClN3OS/c20-16-9-3-1-7-14(16)13-23-18(24)15-8-2-4-10-17(15)22-19(23)25-12-6-5-11-21/h1-4,7-10H,5-6,12-13H2