4-[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-(p-tolylmethylsulfanyl)quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(4-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(4-methylbenzyl)thio]quinazolin-3-yl]benzonitrile Formula: C23H17N3OS MolecularWeight: 383.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17N3OS/c1-16-6-8-18(9-7-16)15-28-23-25-21-5-3-2-4-20(21)22(27)26(23)19-12-10-17(14-24)11-13-19/h2-13H,15H2,1H3