2-fluoranyl-N-[1-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[1-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[1-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide IUPAC Name: N-[1-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[1-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide Formula: C22H22FN5O2S MolecularWeight: 439.505783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H22FN5O2S/c1-3-13-28-20(15(2)24-21(30)17-11-7-8-12-18(17)23)26-27-22(28)31-14-19(29)25-16-9-5-4-6-10-16/h3-12,15H,1,13-14H2,2H3,(H,24,30)(H,25,29)