2-(4-methylsulfonylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(4-methylsulfonylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(4-methylsulfonylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-(4-methylsulfonylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-methylsulfonylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-(4-mesylphenyl)-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C19H15N3O5S2/c1-3-10-21-16-12-14(22(24)25)6-9-17(16)28-19(21)20-18(23)11-13-4-7-15(8-5-13)29(2,26)27/h1,4-9,12H,10-11H2,2H3