methyl 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C15H16FN3O2S MolecularWeight: 321.369843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C2CC2)C3=CC=CC=C3F

InChI

InChI=1S/C15H16FN3O2S/c1-9(14(20)21-2)22-15-18-17-13(19(15)10-7-8-10)11-5-3-4-6-12(11)16/h3-6,9-10H,7-8H2,1-2H3