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

Systemtic Name: 2-[[5-(4-bromanylthiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(4-bromo-2-thiophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C15H12BrN5O3S2 MolecularWeight: 454.32148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CS3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CS3)Br

InChI

InChI=1S/C15H12BrN5O3S2/c1-20-14(12-6-9(16)7-25-12)18-19-15(20)26-8-13(22)17-10-2-4-11(5-3-10)21(23)24/h2-7H,8H2,1H3,(H,17,22)