(4-ethylphenyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (4-ethylphenyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (4-ethylphenyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (4-ethylphenyl) ester Formula: C18H17N3O2 MolecularWeight: 307.34648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H17N3O2/c1-2-14-5-9-17(10-6-14)23-18(22)16-7-3-15(4-8-16)11-21-13-19-12-20-21/h3-10,12-13H,2,11H2,1H3