3-ethylsulfanyl-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole

Systemtic Name: 3-ethylsulfanyl-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole CAS Name: 3-(ethylthio)-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-4-methyl-5-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1,2,4-triazole Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-5-(ethylthio)-4-methyl-1,2,4-triazole Formula: C18H31N3S MolecularWeight: 321.52384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)SCC

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=NN=C(N3C)SCC

InChI

InChI=1S/C18H31N3S/c1-4-6-7-8-17-9-12-18(13-10-17,14-11-17)15-19-20-16(21(15)3)22-5-2/h4-14H2,1-3H3