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

Systemtic Name: 4-chloranyl-2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 4-chloro-2-[[4-(5-methylsulfonylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 4-chloro-2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 4-chloro-2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 4-chloro-2-[[4-(5-mesylpentyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C19H19ClN4O2S4 MolecularWeight: 499.09276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC3=C(S2)C=CC=C3Cl)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)CCCCCN1C(=NN=C1SC2=NC3=C(S2)C=CC=C3Cl)C4=CC=CS4

InChI

InChI=1S/C19H19ClN4O2S4/c1-30(25,26)12-4-2-3-10-24-17(15-9-6-11-27-15)22-23-18(24)29-19-21-16-13(20)7-5-8-14(16)28-19/h5-9,11H,2-4,10,12H2,1H3