1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C19H19N3OS/c1-4-9-22-13(2)10-16(14(22)3)18(23)11-24-19-15-7-5-6-8-17(15)20-12-21-19/h4-8,10,12H,1,9,11H2,2-3H3