4-[2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(5-chloro-2-methoxyphenyl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[(5-chloro-2-methoxy-benzyl)thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C23H16ClN3O2S MolecularWeight: 433.91004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H16ClN3O2S/c1-29-21-11-8-17(24)12-16(21)14-30-23-26-20-5-3-2-4-19(20)22(28)27(23)18-9-6-15(13-25)7-10-18/h2-12H,14H2,1H3