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

Systemtic Name: 4-cyclopropyl-3-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H14FN3O3S MolecularWeight: 323.342663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3)F

InChI

InChI=1S/C14H14FN3O3S/c1-21-12-5-2-8(6-10(12)15)11(19)7-22-14-17-16-13(20)18(14)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,16,20)