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

Systemtic Name: 1-phenylethyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: 1-phenylethyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid 1-phenylethyl ester Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H15N3O2/c1-13(14-5-3-2-4-6-14)22-17(21)15-7-9-16(10-8-15)20-12-18-11-19-20/h2-13H,1H3