2-fluoranyl-N-[1-[4-methyl-5-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[1-[4-methyl-5-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 2-fluoro-N-[1-[4-methyl-5-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 2-fluoro-N-[1-[4-methyl-5-[[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-fluoro-N-[1-[4-methyl-5-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 2-fluoro-N-[1-[5-[[2-keto-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C22H21FN6O2S2 MolecularWeight: 484.569543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NN=C(N3C)C(C)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NN=C(N3C)C(C)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN6O2S2/c1-12-7-6-10-16-18(12)26-21(33-16)25-17(30)11-32-22-28-27-19(29(22)3)13(2)24-20(31)14-8-4-5-9-15(14)23/h4-10,13H,11H2,1-3H3,(H,24,31)(H,25,26,30)