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

Systemtic Name: 3-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]carbonylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[(1S,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-oxomethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[(1S,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[(1S,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-thioxo-quinazolin-4-olate Formula: C18H13ClN3O2S- MolecularWeight: 370.83272

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1[C@H]([C@H]1C(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H14ClN3O2S/c19-11-7-5-10(6-8-11)13-9-14(13)16(23)21-22-17(24)12-3-1-2-4-15(12)20-18(22)25/h1-8,13-14,24H,9H2,(H,21,23)/p-1/t13-,14-/m0/s1