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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-benzyl-5-(2-brosylethylthio)-4-ethyl-1,2,4-triazole Formula: C19H20BrN3O2S2 MolecularWeight: 466.415

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C19H20BrN3O2S2/c1-2-23-18(14-15-6-4-3-5-7-15)21-22-19(23)26-12-13-27(24,25)17-10-8-16(20)9-11-17/h3-11H,2,12-14H2,1H3