2-fluoranyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-nitro-benzamide

Systemtic Name: 2-fluoranyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-nitro-benzamide Openeye Name: 2-fluoro-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-nitro-benzamide CAS Name: 2-fluoro-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: 2-fluoro-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-nitrobenzamide Traditional Name: 2-fluoro-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C21H18FN3O3S2 MolecularWeight: 443.514323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H18FN3O3S2/c1-2-3-4-5-6-11-29-21-24-18-10-7-14(12-19(18)30-21)23-20(26)16-9-8-15(25(27)28)13-17(16)22/h7-10,12-13H,2-3,6,11H2,1H3,(H,23,26)