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

Systemtic Name: 6-methylsulfonyl-2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-2-[[4-(5-methylsulfonylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 6-methylsulfonyl-2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[4-(5-mesylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C20H22N4O4S5 MolecularWeight: 542.73808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C20H22N4O4S5/c1-32(25,26)12-5-3-4-10-24-18(16-7-6-11-29-16)22-23-19(24)31-20-21-15-9-8-14(33(2,27)28)13-17(15)30-20/h6-9,11,13H,3-5,10,12H2,1-2H3