butyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: butyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: butyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid butyl ester IUPAC Name: butyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid butyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C=NC=N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C=NC=N2

InChI

InChI=1S/C13H15N3O2/c1-2-3-8-18-13(17)11-4-6-12(7-5-11)16-10-14-9-15-16/h4-7,9-10H,2-3,8H2,1H3