N-[[1-(3-fluoranyl-4-pyrazol-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]ethanethioamide

Systemtic Name: N-[[1-(3-fluoranyl-4-pyrazol-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]ethanethioamide Openeye Name: N-[[1-(3-fluoro-4-pyrazol-1-yl-phenyl)triazol-4-yl]methyl]thioacetamide CAS Name: N-[[1-[3-fluoro-4-(1-pyrazolyl)phenyl]-4-triazolyl]methyl]ethanethioamide IUPAC Name: N-[[1-(3-fluoro-4-pyrazol-1-ylphenyl)triazol-4-yl]methyl]ethanethioamide Traditional Name: N-[[1-(3-fluoro-4-pyrazol-1-yl-phenyl)triazol-4-yl]methyl]thioacetamide Formula: C14H13FN6S MolecularWeight: 316.356623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3C=CC=N3)F

Isomeric SMILES

CC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3C=CC=N3)F

InChI

InChI=1S/C14H13FN6S/c1-10(22)16-8-11-9-21(19-18-11)12-3-4-14(13(15)7-12)20-6-2-5-17-20/h2-7,9H,8H2,1H3,(H,16,22)