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

Systemtic Name: 2-[[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[3-(2-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=CC=C4Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl)C#N

InChI

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