N-[3-hexadecylsulfanyl-2-(5-methyl-1,2,4-triazol-1-yl)propyl]-3-iodanyl-propane-1-sulfonamide

Systemtic Name: N-[3-hexadecylsulfanyl-2-(5-methyl-1,2,4-triazol-1-yl)propyl]-3-iodanyl-propane-1-sulfonamide Openeye Name: N-[3-hexadecylsulfanyl-2-(5-methyl-1,2,4-triazol-1-yl)propyl]-3-iodo-propane-1-sulfonamide CAS Name: N-[3-(hexadecylthio)-2-(5-methyl-1,2,4-triazol-1-yl)propyl]-3-iodo-1-propanesulfonamide IUPAC Name: N-[3-hexadecylsulfanyl-2-(5-methyl-1,2,4-triazol-1-yl)propyl]-3-iodopropane-1-sulfonamide Traditional Name: N-[3-(cetylthio)-2-(5-methyl-1,2,4-triazol-1-yl)propyl]-3-iodo-propane-1-sulfonamide Formula: C25H49IN4O2S2 MolecularWeight: 628.71663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCI)N1C(=NC=N1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCI)N1C(=NC=N1)C

InChI

InChI=1S/C25H49IN4O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-22-25(30-24(2)27-23-28-30)21-29-34(31,32)20-17-18-26/h23,25,29H,3-22H2,1-2H3