3-(3,5-dimethylphenyl)-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]quinazolin-4-one Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCC4C5=CC=CS5)C

InChI

InChI=1S/C26H25N3O2S2/c1-17-13-18(2)15-19(14-17)29-25(31)20-7-3-4-8-21(20)27-26(29)33-16-24(30)28-11-5-9-22(28)23-10-6-12-32-23/h3-4,6-8,10,12-15,22H,5,9,11,16H2,1-2H3