O-ethyl N-[[1-[4-[3-(ethoxymethyl)-4-oxidanylidene-imidazolidin-1-yl]-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate

Systemtic Name: O-ethyl N-[[1-[4-[3-(ethoxymethyl)-4-oxidanylidene-imidazolidin-1-yl]-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-ethyl N-[[1-[4-[3-(ethoxymethyl)-4-oxo-imidazolidin-1-yl]-3,5-difluoro-phenyl]triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[4-[3-(ethoxymethyl)-4-oxo-1-imidazolidinyl]-3,5-difluorophenyl]-4-triazolyl]methyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-[[1-[4-[3-(ethoxymethyl)-4-oxoimidazolidin-1-yl]-3,5-difluorophenyl]triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-[4-[3-(ethoxymethyl)-4-keto-imidazolidin-1-yl]-3,5-difluoro-phenyl]triazol-4-yl]methyl]thiocarbamic acid O-ethyl ester Formula: C18H22F2N6O3S MolecularWeight: 440.467486

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1CN(CC1=O)C2=C(C=C(C=C2F)N3C=C(N=N3)CNC(=S)OCC)F

Isomeric SMILES

CCOCN1CN(CC1=O)C2=C(C=C(C=C2F)N3C=C(N=N3)CNC(=S)OCC)F

InChI

InChI=1S/C18H22F2N6O3S/c1-3-28-11-25-10-24(9-16(25)27)17-14(19)5-13(6-15(17)20)26-8-12(22-23-26)7-21-18(30)29-4-2/h5-6,8H,3-4,7,9-11H2,1-2H3,(H,21,30)