2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3Br

InChI

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