4-butan-2-yl-3-octylsulfanyl-5-pentadecyl-1,2,4-triazole

Systemtic Name: 4-butan-2-yl-3-octylsulfanyl-5-pentadecyl-1,2,4-triazole Openeye Name: 3-octylsulfanyl-5-pentadecyl-4-sec-butyl-1,2,4-triazole CAS Name: 4-butan-2-yl-3-(octylthio)-5-pentadecyl-1,2,4-triazole IUPAC Name: 4-butan-2-yl-3-octylsulfanyl-5-pentadecyl-1,2,4-triazole Traditional Name: 3-(octylthio)-5-pentadecyl-4-sec-butyl-1,2,4-triazole Formula: C29H57N3S MolecularWeight: 479.84798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN=C(N1C(C)CC)SCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN=C(N1C(C)CC)SCCCCCCCC

InChI

InChI=1S/C29H57N3S/c1-5-8-10-12-14-15-16-17-18-19-20-21-23-25-28-30-31-29(32(28)27(4)7-3)33-26-24-22-13-11-9-6-2/h27H,5-26H2,1-4H3