N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H16BrN5O4S MolecularWeight: 478.31974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H16BrN5O4S/c1-23-17(11-3-6-13(28-2)7-4-11)21-22-18(23)29-10-16(25)20-15-8-5-12(24(26)27)9-14(15)19/h3-9H,10H2,1-2H3,(H,20,25)