3-(6-chloranylhexylsulfanyl)-4-hexan-3-ylsulfanyl-1,2,5-thiadiazole; ethanedioic acid

Systemtic Name: 3-(6-chloranylhexylsulfanyl)-4-hexan-3-ylsulfanyl-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(6-chlorohexylsulfanyl)-4-(1-ethylbutylsulfanyl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(6-chlorohexylthio)-4-(hexan-3-ylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(6-chlorohexylsulfanyl)-4-hexan-3-ylsulfanyl-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(6-chlorohexylthio)-4-(1-ethylbutylthio)-1,2,5-thiadiazole; oxalic acid Formula: C16H27ClN2O4S3 MolecularWeight: 443.04458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)SC1=NSN=C1SCCCCCCCl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(CC)SC1=NSN=C1SCCCCCCCl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H25ClN2S3.C2H2O4/c1-3-9-12(4-2)19-14-13(16-20-17-14)18-11-8-6-5-7-10-15;3-1(4)2(5)6/h12H,3-11H2,1-2H3;(H,3,4)(H,5,6)