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

Systemtic Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-(5-methylsulfonylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-(5-mesylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]thiazole-5-carboxylic acid Formula: C16H18N4O4S4 MolecularWeight: 458.59852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC=C(S2)C(=O)O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC=C(S2)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H18N4O4S4/c1-28(23,24)9-4-2-3-7-20-13(11-6-5-8-25-11)18-19-15(20)27-16-17-10-12(26-16)14(21)22/h5-6,8,10H,2-4,7,9H2,1H3,(H,21,22)