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

Systemtic Name: 3-[2-(2-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(2-fluorophenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2-fluorophenyl)-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-(2-fluorophenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H14FN3O2S MolecularWeight: 343.375363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H14FN3O2S/c18-14-9-5-4-8-13(14)15(22)11-24-17-20-19-16(23)21(17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,23)