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

Systemtic Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-(5-methylsulfonylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-(5-mesylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C19H20N4O2S4 MolecularWeight: 464.6477

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C19H20N4O2S4/c1-29(24,25)13-6-2-5-11-23-17(16-10-7-12-26-16)21-22-18(23)28-19-20-14-8-3-4-9-15(14)27-19/h3-4,7-10,12H,2,5-6,11,13H2,1H3