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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-methyl-5-(2-thenyl)-1,2,4-triazole Formula: C16H16BrN3O2S3 MolecularWeight: 458.41614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CS3

InChI

InChI=1S/C16H16BrN3O2S3/c1-20-15(11-13-3-2-8-23-13)18-19-16(20)24-9-10-25(21,22)14-6-4-12(17)5-7-14/h2-8H,9-11H2,1H3