N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C12H9N3O3S MolecularWeight: 275.28316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CC#C

Isomeric SMILES

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CC#C

InChI

InChI=1S/C12H9N3O3S/c1-3-6-14-10-5-4-9(15(17)18)7-11(10)19-12(14)13-8(2)16/h1,4-5,7H,6H2,2H3