3-ethylsulfanyl-5-heptyl-4-octadecyl-1,2,4-triazole

Systemtic Name: 3-ethylsulfanyl-5-heptyl-4-octadecyl-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-5-heptyl-4-octadecyl-1,2,4-triazole CAS Name: 3-(ethylthio)-5-heptyl-4-octadecyl-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-5-heptyl-4-octadecyl-1,2,4-triazole Traditional Name: 3-(ethylthio)-5-heptyl-4-stearyl-1,2,4-triazole Formula: C29H57N3S MolecularWeight: 479.84798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SCC)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SCC)CCCCCCC

InChI

InChI=1S/C29H57N3S/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-32-28(26-24-22-10-8-5-2)30-31-29(32)33-6-3/h4-27H2,1-3H3