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

Systemtic Name: 3-ethylsulfanyl-4-octadecyl-5-phenyl-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-4-octadecyl-5-phenyl-1,2,4-triazole CAS Name: 3-(ethylthio)-4-octadecyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-4-octadecyl-5-phenyl-1,2,4-triazole Traditional Name: 3-(ethylthio)-5-phenyl-4-stearyl-1,2,4-triazole Formula: C28H47N3S MolecularWeight: 457.75788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SCC)C2=CC=CC=C2

InChI

InChI=1S/C28H47N3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31-27(26-23-20-19-21-24-26)29-30-28(31)32-4-2/h19-21,23-24H,3-18,22,25H2,1-2H3