3-ethyl-4-(4-octoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-ethyl-4-(4-octoxyphenyl)-1,2,4-triazole Openeye Name: 3-ethyl-4-(4-octoxyphenyl)-1,2,4-triazole CAS Name: 3-ethyl-4-(4-octoxyphenyl)-1,2,4-triazole IUPAC Name: 3-ethyl-4-(4-octoxyphenyl)-1,2,4-triazole Traditional Name: 3-ethyl-4-(4-octoxyphenyl)-1,2,4-triazole Formula: C18H27N3O MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2C=NN=C2CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2C=NN=C2CC

InChI

InChI=1S/C18H27N3O/c1-3-5-6-7-8-9-14-22-17-12-10-16(11-13-17)21-15-19-20-18(21)4-2/h10-13,15H,3-9,14H2,1-2H3