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

Systemtic Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[4-(5-methylsulfonylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[4-(5-mesylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C20H20N4O4S4 MolecularWeight: 508.6572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S4/c1-32(27,28)11-4-2-3-9-24-17(15-6-5-10-29-15)22-23-19(24)31-20-21-14-8-7-13(18(25)26)12-16(14)30-20/h5-8,10,12H,2-4,9,11H2,1H3,(H,25,26)