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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C#N

InChI

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