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

Systemtic Name: 3-ethyl-4-(4-heptoxyphenyl)-1,2,4-triazole Openeye Name: 3-ethyl-4-(4-heptoxyphenyl)-1,2,4-triazole CAS Name: 3-ethyl-4-(4-heptoxyphenyl)-1,2,4-triazole IUPAC Name: 3-ethyl-4-(4-heptoxyphenyl)-1,2,4-triazole Traditional Name: 3-ethyl-4-(4-heptoxyphenyl)-1,2,4-triazole Formula: C17H25N3O MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)N2C=NN=C2CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)N2C=NN=C2CC

InChI

InChI=1S/C17H25N3O/c1-3-5-6-7-8-13-21-16-11-9-15(10-12-16)20-14-18-19-17(20)4-2/h9-12,14H,3-8,13H2,1-2H3