1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]ethanone Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H19N3O2S2/c1-12-19(14(3)26)13(2)23-20(12)17(27)11-29-22-15-7-4-5-8-16(15)24-21(25-22)18-9-6-10-28-18/h4-10,23H,11H2,1-3H3