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

Systemtic Name: O-methyl N-[[1-(3-fluoranyl-4-piperazin-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-(3-fluoro-4-piperazin-1-yl-phenyl)triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[3-fluoro-4-(1-piperazinyl)phenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-(3-fluoro-4-piperazin-1-ylphenyl)triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-(3-fluoro-4-piperazino-phenyl)triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C15H19FN6OS MolecularWeight: 350.414363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3CCNCC3)F

Isomeric SMILES

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3CCNCC3)F

InChI

InChI=1S/C15H19FN6OS/c1-23-15(24)18-9-11-10-22(20-19-11)12-2-3-14(13(16)8-12)21-6-4-17-5-7-21/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,24)