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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)F

InChI

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