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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O3S/c1-2-23-17(12-6-4-3-5-7-12)21-22-18(23)28-11-16(25)20-15-9-8-13(24(26)27)10-14(15)19/h3-10H,2,11H2,1H3,(H,20,25)