4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(3-chlorophenyl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[(3-chlorobenzyl)thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C22H14ClN3OS MolecularWeight: 403.88406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H14ClN3OS/c23-17-5-3-4-16(12-17)14-28-22-25-20-7-2-1-6-19(20)21(27)26(22)18-10-8-15(13-24)9-11-18/h1-12H,14H2