S-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl] 2,6-bis(fluoranyl)benzenecarbothioate

Systemtic Name: S-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl] 2,6-bis(fluoranyl)benzenecarbothioate Openeye Name: S-[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl] 2,6-difluorobenzenecarbothioate CAS Name: 2,6-difluorobenzenecarbothioic acid S-[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl] 2,6-difluorobenzenecarbothioate Traditional Name: 2,6-difluorothiobenzoic acid S-[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl] ester Formula: C19H11F2N3O2S MolecularWeight: 383.371346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC(=O)C3=C(C=CC=C3F)F)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC(=O)C3=C(C=CC=C3F)F)C4=CC=CO4

InChI

InChI=1S/C19H11F2N3O2S/c20-13-8-4-9-14(21)16(13)18(25)27-19-23-22-17(15-10-5-11-26-15)24(19)12-6-2-1-3-7-12/h1-11H