2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-7-pyrrolidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-7-pyrrolidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-7-[oxo(1-pyrrolidinyl)methyl]-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-7-(pyrrolidine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC#N)C

InChI

InChI=1S/C23H22N4O2S/c1-15-11-16(2)13-18(12-15)27-22(29)19-6-5-17(21(28)26-8-3-4-9-26)14-20(19)25-23(27)30-10-7-24/h5-6,11-14H,3-4,8-10H2,1-2H3