2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-1H-quinazolin-4-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H19N3O2S/c1-4-9-22-12(2)10-15(13(22)3)17(23)11-25-19-20-16-8-6-5-7-14(16)18(24)21-19/h4-8,10H,1,9,11H2,2-3H3,(H,20,21,24)