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

Systemtic Name: 4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: 4-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: 4-[3-[(6-mesyl-1,3-benzothiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C20H15N5O4S5 MolecularWeight: 549.6892

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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)S(=O)(=O)N)C5=CC=CS5

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O4S5/c1-33(26,27)14-8-9-15-17(11-14)31-20(22-15)32-19-24-23-18(16-3-2-10-30-16)25(19)12-4-6-13(7-5-12)34(21,28)29/h2-11H,1H3,(H2,21,28,29)