3-(4-butoxyphenyl)-5-methyl-1H-1,2,4-triazole

Systemtic Name: 3-(4-butoxyphenyl)-5-methyl-1H-1,2,4-triazole Openeye Name: 3-(4-butoxyphenyl)-5-methyl-1H-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-5-methyl-1H-1,2,4-triazole Traditional Name: 3-(4-butoxyphenyl)-5-methyl-1H-1,2,4-triazole Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NNC(=N2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NNC(=N2)C

InChI

InChI=1S/C13H17N3O/c1-3-4-9-17-12-7-5-11(6-8-12)13-14-10(2)15-16-13/h5-8H,3-4,9H2,1-2H3,(H,14,15,16)