3-[2-(dimethylazaniumyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-olate

Systemtic Name: 3-[2-(dimethylazaniumyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-olate Openeye Name: 3-[2-(dimethylammonio)ethyl]-4-oxo-2-thioxo-1H-quinazolin-6-olate CAS Name: 3-[2-(dimethylammonio)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-6-olate IUPAC Name: 3-[2-(dimethylazaniumyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-6-olate Traditional Name: 3-[2-(dimethylammonio)ethyl]-4-keto-2-thioxo-1H-quinazolin-6-olate Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)C2=C(C=CC(=C2)[O-])NC1=S

Isomeric SMILES

C[NH+](C)CCN1C(=O)C2=C(C=CC(=C2)[O-])NC1=S

InChI

InChI=1S/C12H15N3O2S/c1-14(2)5-6-15-11(17)9-7-8(16)3-4-10(9)13-12(15)18/h3-4,7,16H,5-6H2,1-2H3,(H,13,18)