2-(4-fluorophenyl)sulfanylethyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: 2-(4-fluorophenyl)sulfanylethyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: 2-(4-fluorophenyl)sulfanylethyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid 2-[(4-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(4-fluorophenyl)sulfanylethyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid 2-[(4-fluorophenyl)thio]ethyl ester Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCCSC3=CC=C(C=C3)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCCSC3=CC=C(C=C3)F)N=N1

InChI

InChI=1S/C17H16FN3O2S/c1-2-21-16-8-3-12(11-15(16)19-20-21)17(22)23-9-10-24-14-6-4-13(18)5-7-14/h3-8,11H,2,9-10H2,1H3