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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN5O2S/c1-2-14-28-19(12-13-24-21(30)16-8-10-17(23)11-9-16)26-27-22(28)31-15-20(29)25-18-6-4-3-5-7-18/h2-11H,1,12-15H2,(H,24,30)(H,25,29)