quinazolin-3-ium; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Systemtic Name: quinazolin-3-ium; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Openeye Name: quinazolin-3-ium; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one CAS Name: quinazolin-3-ium; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one IUPAC Name: quinazolin-3-ium; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Traditional Name: quinazolin-3-ium; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Formula: C14H14N3OS+ MolecularWeight: 272.34546

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN2C(S1)CC2=O.C1=CC=C2C(=C1)C=[NH+]C=N2

Isomeric SMILES

C1C=CN2C(S1)CC2=O.C1=CC=C2C(=C1)C=[NH+]C=N2

InChI

InChI=1S/C8H6N2.C6H7NOS/c1-2-4-8-7(3-1)5-9-6-10-8;8-5-4-6-7(5)2-1-3-9-6/h1-6H;1-2,6H,3-4H2/p+1