3-(3-bromophenyl)-4-phenyl-5-[2-(phenylsulfonyl)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(3-bromophenyl)-4-phenyl-5-[2-(phenylsulfonyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-[2-(benzenesulfonyl)ethylsulfanyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(benzenesulfonyl)ethylthio]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(benzenesulfonyl)ethylsulfanyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-besylethylthio)-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole Formula: C22H18BrN3O2S2 MolecularWeight: 500.43122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCS(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCS(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H18BrN3O2S2/c23-18-9-7-8-17(16-18)21-24-25-22(26(21)19-10-3-1-4-11-19)29-14-15-30(27,28)20-12-5-2-6-13-20/h1-13,16H,14-15H2