3-butoxy-5-(3-chlorophenyl)-1H-1,2,4-triazole

Systemtic Name: 3-butoxy-5-(3-chlorophenyl)-1H-1,2,4-triazole Openeye Name: 3-butoxy-5-(3-chlorophenyl)-1H-1,2,4-triazole CAS Name: 3-butoxy-5-(3-chlorophenyl)-1H-1,2,4-triazole IUPAC Name: 3-butoxy-5-(3-chlorophenyl)-1H-1,2,4-triazole Traditional Name: 3-butoxy-5-(3-chlorophenyl)-1H-1,2,4-triazole Formula: C12H14ClN3O MolecularWeight: 251.71206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NNC(=N1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCOC1=NNC(=N1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H14ClN3O/c1-2-3-7-17-12-14-11(15-16-12)9-5-4-6-10(13)8-9/h4-6,8H,2-3,7H2,1H3,(H,14,15,16)