3-[[(1R,2S)-2-(4-methylphenyl)cyclopropyl]carbonylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[[(1R,2S)-2-(4-methylphenyl)cyclopropyl]carbonylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[(1R,2S)-2-(p-tolyl)cyclopropanecarbonyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-oxomethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[(1R,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[(1R,2S)-2-(p-tolyl)cyclopropanecarbonyl]amino]-2-thioxo-quinazolin-4-olate Formula: C19H16N3O2S- MolecularWeight: 350.41424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC2C(=O)NN3C(=C4C=CC=CC4=NC3=S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C[C@H]2C(=O)NN3C(=C4C=CC=CC4=NC3=S)[O-]

InChI

InChI=1S/C19H17N3O2S/c1-11-6-8-12(9-7-11)14-10-15(14)17(23)21-22-18(24)13-4-2-3-5-16(13)20-19(22)25/h2-9,14-15,24H,10H2,1H3,(H,21,23)/p-1/t14-,15-/m1/s1