2-[2-[(2,5-dimethylphenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(2,5-dimethylphenyl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(2,5-dimethylphenyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(2,5-dimethylphenyl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(2,5-dimethylphenyl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C19H17N3OS/c1-13-7-8-14(2)17(11-13)24-12-18-21-16-6-4-3-5-15(16)19(23)22(18)10-9-20/h3-8,11H,10,12H2,1-2H3