2-[1-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]ethyl]-1H-quinazolin-4-one Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H21N3O2S/c1-11-9-15(12(2)22(11)4)17(23)10-25-13(3)18-20-16-8-6-5-7-14(16)19(24)21-18/h5-9,13H,10H2,1-4H3,(H,20,21,24)