[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 2-fluoranylbenzoate

Systemtic Name: [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3CC3)OC(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2C(=NNC2=S)C3CC3)OC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H17FN4O3S/c1-27-17-10-12(11-22-25-18(13-7-8-13)23-24-20(25)29)6-9-16(17)28-19(26)14-4-2-3-5-15(14)21/h2-6,9-11,13H,7-8H2,1H3,(H,24,29)/b22-11-