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

Systemtic Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4OS/c1-2-23-17(13-5-9-15(20)10-6-13)21-22-18(23)25-11-16(24)12-3-7-14(19)8-4-12/h3-10H,2,11,20H2,1H3