2-[2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C)C

InChI

InChI=1S/C20H23N5OS/c1-4-5-11-24-15(3)14(2)22-20(24)27-13-18-23-17-9-7-6-8-16(17)19(26)25(18)12-10-21/h6-9H,4-5,11-13H2,1-3H3