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

Systemtic Name: N-[2-[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[2-[5-[(2-anilino-2-oxoethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide IUPAC Name: N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[2-[5-[(2-anilino-2-keto-ethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN5O2S/c1-2-27-18(12-13-23-20(29)16-10-6-7-11-17(16)22)25-26-21(27)30-14-19(28)24-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,23,29)(H,24,28)