N-(5-nitro-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanyl-ethanamide

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanyl-ethanamide Openeye Name: 2-allylsulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-(prop-2-enylthio)acetamide IUPAC Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanylacetamide Traditional Name: 2-(allylthio)-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC(=O)NC1=NC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCSCC(=O)NC1=NC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S2/c1-2-5-19-7-11(16)14-12-13-9-6-8(15(17)18)3-4-10(9)20-12/h2-4,6H,1,5,7H2,(H,13,14,16)