N-[1-[5-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-2-methoxy-benzamide

Systemtic Name: N-[1-[5-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-2-methoxy-benzamide Openeye Name: N-[1-[5-[2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-2-methoxy-benzamide CAS Name: N-[1-[5-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-2-methoxybenzamide IUPAC Name: N-[1-[5-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-2-methoxybenzamide Traditional Name: N-[1-[5-[[2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-2-methoxy-benzamide Formula: C21H21ClFN5O4S MolecularWeight: 493.938943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)F)C(CO)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)F)C(CO)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H21ClFN5O4S/c1-28-19(16(10-29)25-20(31)13-5-3-4-6-17(13)32-2)26-27-21(28)33-11-18(30)24-15-8-7-12(22)9-14(15)23/h3-9,16,29H,10-11H2,1-2H3,(H,24,30)(H,25,31)