1-[1-[2-[2,5-bis(fluoranyl)phenyl]-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-oxidanyl-butyl]-1,2,4-triazol-4-ium-4-yl]ethyl N-ethanoyl-N-methyl-carbamate

Systemtic Name: 1-[1-[2-[2,5-bis(fluoranyl)phenyl]-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-oxidanyl-butyl]-1,2,4-triazol-4-ium-4-yl]ethyl N-ethanoyl-N-methyl-carbamate Openeye Name: 1-[1-[3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxy-butyl]-1,2,4-triazol-4-ium-4-yl]ethyl N-acetyl-N-methyl-carbamate CAS Name: N-acetyl-N-methylcarbamic acid 1-[1-[3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethyl ester IUPAC Name: 1-[1-[3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethyl N-acetyl-N-methylcarbamate Traditional Name: N-acetyl-N-methyl-carbamic acid 1-[1-[3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxy-butyl]-1,2,4-triazol-4-ium-4-yl]ethyl ester Formula: C28H27F2N6O4S+ MolecularWeight: 581.613586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=[N+](C=N3)C(C)OC(=O)N(C)C(=O)C)(C4=C(C=CC(=C4)F)F)O

Isomeric SMILES

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=[N+](C=N3)C(C)OC(=O)N(C)C(=O)C)(C4=C(C=CC(=C4)F)F)O

InChI

InChI=1S/C28H27F2N6O4S/c1-17(26-33-25(13-41-26)21-7-5-20(12-31)6-8-21)28(39,23-11-22(29)9-10-24(23)30)14-36-16-35(15-32-36)19(3)40-27(38)34(4)18(2)37/h5-11,13,15-17,19,39H,14H2,1-4H3/q+1