3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-thioxo-quinazolin-4-olate Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=C3C=CC=CC3=NC2=S)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN2C(=C3C=CC=CC3=NC2=S)[O-]

InChI

InChI=1S/C15H19N3OS/c1-2-17-9-5-6-11(17)10-18-14(19)12-7-3-4-8-13(12)16-15(18)20/h3-4,7-8,11,19H,2,5-6,9-10H2,1H3/t11-/m0/s1