4-[[7-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[7-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[7-chloro-3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[7-chloro-3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[7-chloro-3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H13Cl2N3OS MolecularWeight: 438.32912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H13Cl2N3OS/c23-16-5-8-18(9-6-16)27-21(28)19-10-7-17(24)11-20(19)26-22(27)29-13-15-3-1-14(12-25)2-4-15/h1-11H,13H2