3-(pyridin-3-ylcarbonylamino)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(pyridin-3-ylcarbonylamino)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(pyridine-3-carbonylamino)-2-thioxo-quinazolin-4-olate CAS Name: 3-[[oxo(3-pyridinyl)methyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(pyridine-3-carbonylamino)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-nicotinamido-2-thioxo-quinazolin-4-olate Formula: C14H9N4O2S- MolecularWeight: 297.31186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O2S/c19-12(9-4-3-7-15-8-9)17-18-13(20)10-5-1-2-6-11(10)16-14(18)21/h1-8,20H,(H,17,19)/p-1