2-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C

InChI

InChI=1S/C22H21N5O2S/c1-14-7-8-16(11-15(14)2)26-10-9-24-22(26)30-13-20-25-18-6-4-3-5-17(18)21(29)27(20)12-19(23)28/h3-11H,12-13H2,1-2H3,(H2,23,28)