2-[4-ethyl-5-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[4-ethyl-5-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[4-ethyl-5-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[4-ethyl-5-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[4-ethyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[4-ethyl-5-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide Formula: C21H21FN6O4S MolecularWeight: 472.492643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)CC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)CC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN6O4S/c1-3-27-18(11-19(29)24-17-7-5-4-6-15(17)22)25-26-21(27)33-12-20(30)23-16-9-8-14(28(31)32)10-13(16)2/h4-10H,3,11-12H2,1-2H3,(H,23,30)(H,24,29)