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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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