2,4-dimethyl-8-nitro-pyrimido[2,1-b][1,3]benzothiazol-5-ium

Systemtic Name: 2,4-dimethyl-8-nitro-pyrimido[2,1-b][1,3]benzothiazol-5-ium Openeye Name: 2,4-dimethyl-8-nitro-pyrimido[2,1-b][1,3]benzothiazol-5-ium CAS Name: 2,4-dimethyl-8-nitropyrimido[2,1-b][1,3]benzothiazol-5-ium IUPAC Name: 2,4-dimethyl-8-nitropyrimido[2,1-b][1,3]benzothiazol-5-ium Traditional Name: 2,4-dimethyl-8-nitro-pyrimido[2,1-b][1,3]benzothiazol-5-ium Formula: C12H10N3O2S+ MolecularWeight: 260.2917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=N1)C

Isomeric SMILES

CC1=CC(=[N+]2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=N1)C

InChI

InChI=1S/C12H10N3O2S/c1-7-5-8(2)14-10-4-3-9(15(16)17)6-11(10)18-12(14)13-7/h3-6H,1-2H3/q+1