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

Systemtic Name: [4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)OC

Isomeric SMILES

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)OC

InChI

InChI=1S/C19H17FN4O3S/c1-3-17-22-23-19(28)24(17)21-11-12-8-9-15(16(10-12)26-2)27-18(25)13-6-4-5-7-14(13)20/h4-11H,3H2,1-2H3,(H,23,28)