3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C18H18BrN3O2S3 MolecularWeight: 484.45342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C18H18BrN3O2S3/c19-13-3-7-16(8-4-13)27(23,24)11-10-26-18-21-20-17(22(18)14-5-6-14)12-15-2-1-9-25-15/h1-4,7-9,14H,5-6,10-12H2