ethyl 4-[2-[[4-azanyl-5-[4-[bis(fluoranyl)methoxy]phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[[4-azanyl-5-[4-[bis(fluoranyl)methoxy]phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C17H21F2N5O4S MolecularWeight: 429.441546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)OC(F)F

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C17H21F2N5O4S/c1-2-27-14(26)4-3-9-21-13(25)10-29-17-23-22-15(24(17)20)11-5-7-12(8-6-11)28-16(18)19/h5-8,16H,2-4,9-10,20H2,1H3,(H,21,25)