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

Systemtic Name: O-methyl N-[[1-[4-(3-cyanopyrrol-1-yl)-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-[4-(3-cyanopyrrol-1-yl)-3,5-difluoro-phenyl]triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[4-(3-cyano-1-pyrrolyl)-3,5-difluorophenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-[4-(3-cyanopyrrol-1-yl)-3,5-difluorophenyl]triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-[4-(3-cyanopyrrol-1-yl)-3,5-difluoro-phenyl]triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C16H12F2N6OS MolecularWeight: 374.367886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C(=C2)F)N3C=CC(=C3)C#N)F

Isomeric SMILES

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C(=C2)F)N3C=CC(=C3)C#N)F

InChI

InChI=1S/C16H12F2N6OS/c1-25-16(26)20-7-11-9-24(22-21-11)12-4-13(17)15(14(18)5-12)23-3-2-10(6-19)8-23/h2-5,8-9H,7H2,1H3,(H,20,26)