2-[2-[(2-methylphenyl)methylsulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(2-methylphenyl)methylsulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(o-tolylmethylsulfanylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(2-methylphenyl)methylthio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(2-methylphenyl)methylsulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(2-methylbenzyl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=CC=CC=C1CSCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C19H17N3OS/c1-14-6-2-3-7-15(14)12-24-13-18-21-17-9-5-4-8-16(17)19(23)22(18)11-10-20/h2-9H,11-13H2,1H3