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

Systemtic Name: 2-bromanyl-N-[[5-[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-bromo-N-[[5-[2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-bromo-N-[[5-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-bromo-N-[[5-[[2-(2-chloro-5-nitro-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C19H16BrClN6O4S MolecularWeight: 539.79014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H16BrClN6O4S/c1-26-16(9-22-18(29)12-4-2-3-5-13(12)20)24-25-19(26)32-10-17(28)23-15-8-11(27(30)31)6-7-14(15)21/h2-8H,9-10H2,1H3,(H,22,29)(H,23,28)