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

Systemtic Name: 3-chloranyl-4-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-chloro-4-[[(4-oxo-3-phenyl-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 3-chloro-4-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-chloro-4-[[(4-keto-3-phenyl-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)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C#N)Cl

InChI

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