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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H14BrN5O3S MolecularWeight: 448.29376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H14BrN5O3S/c1-10-3-2-4-11(7-10)16-20-17(22-21-16)27-9-15(24)19-14-6-5-12(23(25)26)8-13(14)18/h2-8H,9H2,1H3,(H,19,24)(H,20,21,22)