ethyl 3-[2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[4-allyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[[(2-fluorophenyl)methylthio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-allyl-5-[[(2-fluorobenzyl)thio]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C24H25FN4O3S2 MolecularWeight: 500.608703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CSCC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CSCC3=CC=CC=C3F

InChI

InChI=1S/C24H25FN4O3S2/c1-3-12-29-21(15-33-14-18-8-5-6-11-20(18)25)27-28-24(29)34-16-22(30)26-19-10-7-9-17(13-19)23(31)32-4-2/h3,5-11,13H,1,4,12,14-16H2,2H3,(H,26,30)