3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-(2-furylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-(2-furanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-4-(2-furfuryl)-1H-1,2,4-triazol-5-one Formula: C15H12FN3O3S MolecularWeight: 333.337483

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=COC(=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H12FN3O3S/c16-11-5-3-10(4-6-11)13(20)9-23-15-18-17-14(21)19(15)8-12-2-1-7-22-12/h1-7H,8-9H2,(H,17,21)