2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-propargyl-acetamide Formula: C12H9N3O3S2 MolecularWeight: 307.34816

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3S2/c1-2-5-13-11(16)7-19-12-14-9-4-3-8(15(17)18)6-10(9)20-12/h1,3-4,6H,5,7H2,(H,13,16)