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

Systemtic Name: 3-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3)F

InChI

InChI=1S/C18H16FN3O3S/c1-25-16-8-7-13(9-14(16)19)15(23)11-26-18-21-20-17(24)22(18)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,24)