2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C17H13BrN4O3S MolecularWeight: 433.27912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Br

InChI

InChI=1S/C17H13BrN4O3S/c1-21-16(13-4-2-3-5-14(13)18)19-20-17(21)26-10-15(23)11-6-8-12(9-7-11)22(24)25/h2-9H,10H2,1H3