ethyl 4-[2-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23FN6O4S MolecularWeight: 438.476423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3F

InChI

InChI=1S/C18H23FN6O4S/c1-2-28-18(27)24-9-7-23(8-10-24)16(26)12-30-17-22-21-15(25(17)20)11-29-14-6-4-3-5-13(14)19/h3-6H,2,7-12,20H2,1H3