N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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-])CCSC

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S2/c1-8(16)13-12-14(5-6-19-2)10-4-3-9(15(17)18)7-11(10)20-12/h3-4,7H,5-6H2,1-2H3