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

Systemtic Name: 4-bromanyl-N-[2-[5-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 4-bromo-N-[2-[5-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-bromo-N-[2-[5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-bromo-N-[2-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 4-bromo-N-[2-[5-[[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C21H21BrClN5O3S MolecularWeight: 538.84514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrClN5O3S/c1-28-18(9-10-24-20(30)13-3-5-14(22)6-4-13)26-27-21(28)32-12-19(29)25-16-11-15(23)7-8-17(16)31-2/h3-8,11H,9-10,12H2,1-2H3,(H,24,30)(H,25,29)