2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-2-14-8-10-15(11-9-14)17-20-19(22-21-17)25-13-12-24-18(23)16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,20,21,22)