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

Systemtic Name: 2-[[5-(4-bromanylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(4-bromo-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(4-bromo-2-thiophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-bromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-bromo-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C16H14BrN5O3S2 MolecularWeight: 468.34806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CS3)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CS3)Br

InChI

InChI=1S/C16H14BrN5O3S2/c1-2-21-15(13-6-10(17)8-26-13)19-20-16(21)27-9-14(23)18-11-4-3-5-12(7-11)22(24)25/h3-8H,2,9H2,1H3,(H,18,23)