4-(4-fluorophenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H16FN3O5S2 MolecularWeight: 461.486543

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FN3O5S2/c1-2-11-23-17-10-7-15(24(26)27)13-18(17)30-20(23)22-19(25)4-3-12-31(28,29)16-8-5-14(21)6-9-16/h1,5-10,13H,3-4,11-12H2