2-methylpropyl 2-[[4-azanyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-methylpropyl 2-[[4-azanyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isobutyl 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid isobutyl ester Formula: C14H17FN4O2S MolecularWeight: 324.373783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)COC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H17FN4O2S/c1-9(2)7-21-12(20)8-22-14-18-17-13(19(14)16)10-3-5-11(15)6-4-10/h3-6,9H,7-8,16H2,1-2H3