3-ethyl-7-(pyridin-3-ylmethylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-ethyl-7-(pyridin-3-ylmethylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-(3-pyridylmethylcarbamoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[oxo-(3-pyridinylmethylamino)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-(pyridin-3-ylmethylcarbamoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-(3-pyridylmethylcarbamoyl)-2-thioxo-quinazolin-4-olate Formula: C17H15N4O2S- MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3=CN=CC=C3)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC3=CN=CC=C3)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-2-21-16(23)13-6-5-12(8-14(13)20-17(21)24)15(22)19-10-11-4-3-7-18-9-11/h3-9,23H,2,10H2,1H3,(H,19,22)/p-1