N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-fluoranyl-4-nitro-benzamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-fluoranyl-4-nitro-benzamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-fluoro-4-nitro-benzamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-fluoro-4-nitrobenzamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-fluoro-4-nitrobenzamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-fluoro-4-nitro-benzamide Formula: C21H13FN6O3S2 MolecularWeight: 480.494723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])F

InChI

InChI=1S/C21H13FN6O3S2/c22-15-10-13(28(30)31)6-7-14(15)20(29)23-12-5-8-17-19(9-12)33-21(24-17)32-11-27-18-4-2-1-3-16(18)25-26-27/h1-10H,11H2,(H,23,29)