3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C17H18BrN3O3S2 MolecularWeight: 456.37712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)C3=C(OC=C3)C

InChI

InChI=1S/C17H18BrN3O3S2/c1-3-21-16(15-8-9-24-12(15)2)19-20-17(21)25-10-11-26(22,23)14-6-4-13(18)5-7-14/h4-9H,3,10-11H2,1-2H3