4-cyclododecyl-3-(furan-2-yl)-5-octylsulfanyl-1,2,4-triazole

Systemtic Name: 4-cyclododecyl-3-(furan-2-yl)-5-octylsulfanyl-1,2,4-triazole Openeye Name: 4-cyclododecyl-3-(2-furyl)-5-octylsulfanyl-1,2,4-triazole CAS Name: 4-cyclododecyl-3-(2-furanyl)-5-(octylthio)-1,2,4-triazole IUPAC Name: 4-cyclododecyl-3-(furan-2-yl)-5-octylsulfanyl-1,2,4-triazole Traditional Name: 4-cyclododecyl-3-(2-furyl)-5-(octylthio)-1,2,4-triazole Formula: C26H43N3OS MolecularWeight: 445.70412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=C(N1C2CCCCCCCCCCC2)C3=CC=CO3

Isomeric SMILES

CCCCCCCCSC1=NN=C(N1C2CCCCCCCCCCC2)C3=CC=CO3

InChI

InChI=1S/C26H43N3OS/c1-2-3-4-5-13-16-22-31-26-28-27-25(24-20-17-21-30-24)29(26)23-18-14-11-9-7-6-8-10-12-15-19-23/h17,20-21,23H,2-16,18-19,22H2,1H3