O-methyl N-[[1-[4-(4-ethanoylpiperazin-1-yl)-3-fluoranyl-phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate

Systemtic Name: O-methyl N-[[1-[4-(4-ethanoylpiperazin-1-yl)-3-fluoranyl-phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-[4-(4-acetylpiperazin-1-yl)-3-fluoro-phenyl]triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[4-(4-acetyl-1-piperazinyl)-3-fluorophenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-[4-(4-acetylpiperazino)-3-fluoro-phenyl]triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C17H21FN6O2S MolecularWeight: 392.451043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)OC)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)OC)F

InChI

InChI=1S/C17H21FN6O2S/c1-12(25)22-5-7-23(8-6-22)16-4-3-14(9-15(16)18)24-11-13(20-21-24)10-19-17(27)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,27)