3-[(3-nitrophenyl)carbonylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(3-nitrophenyl)carbonylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(3-nitrobenzoyl)amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[(3-nitrophenyl)-oxomethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(3-nitrobenzoyl)amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[(3-nitrobenzoyl)amino]-2-thioxo-quinazolin-4-olate Formula: C15H9N4O4S- MolecularWeight: 341.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC2=C(N(C(=S)N=C2C=C1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H10N4O4S/c20-13(9-4-3-5-10(8-9)19(22)23)17-18-14(21)11-6-1-2-7-12(11)16-15(18)24/h1-8,21H,(H,17,20)/p-1