2-[5-[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[5-[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[5-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[5-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-allyl-5-[[2-(2-chloro-5-nitro-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H18ClF3N6O4S MolecularWeight: 554.92933

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H18ClF3N6O4S/c1-2-8-31-18(11-19(33)27-14-5-3-4-13(9-14)22(24,25)26)29-30-21(31)37-12-20(34)28-17-10-15(32(35)36)6-7-16(17)23/h2-7,9-10H,1,8,11-12H2,(H,27,33)(H,28,34)