2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[[4-(4-bromophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[[4-(4-bromophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[[4-(4-bromophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-mesyl-1,3-benzothiazole Formula: C20H13BrN4O2S4 MolecularWeight: 549.50682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=CS5

InChI

InChI=1S/C20H13BrN4O2S4/c1-31(26,27)14-8-9-15-17(11-14)29-20(22-15)30-19-24-23-18(16-3-2-10-28-16)25(19)13-6-4-12(21)5-7-13/h2-11H,1H3