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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3OS/c1-2-22-17(14-8-10-15(19)11-9-14)20-21-18(22)24-12-16(23)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3