4-azanylpyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile

Systemtic Name: 4-azanylpyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile Openeye Name: 4-aminopyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile CAS Name: 4-amino-3-pyrimido[2,1-b][1,3]benzothiazole-1,5-diiumcarbonitrile IUPAC Name: 4-aminopyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile Traditional Name: 4-aminopyrimido[2,1-b][1,3]benzothiazole-1,5-diium-3-carbonitrile Formula: C11H8N4S+2 MolecularWeight: 228.27302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(C(=C[NH+]=C3S2)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(C(=C[NH+]=C3S2)C#N)N

InChI

InChI=1S/C11H6N4S/c12-5-7-6-14-11-15(10(7)13)8-3-1-2-4-9(8)16-11/h1-4,6,13H/p+2