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

Systemtic Name: cyclohexyl 2-[[4-azanyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C16H19FN4O2S MolecularWeight: 350.411063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H19FN4O2S/c17-12-8-6-11(7-9-12)15-19-20-16(21(15)18)24-10-14(22)23-13-4-2-1-3-5-13/h6-9,13H,1-5,10,18H2