2-[2-[(4-tert-butylphenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(4-tert-butylphenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-tert-butylphenyl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4-tert-butylphenyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-tert-butylphenyl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4-tert-butylphenyl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-21(2,3)15-8-10-16(11-9-15)26-14-19-23-18-7-5-4-6-17(18)20(25)24(19)13-12-22/h4-11H,13-14H2,1-3H3