2-ethylsulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 2-ethylsulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 2-ethylsulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 2-ethylsulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 2-ethylsulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 2-esyl-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

InChI

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