[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-fluoranylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-methoxy-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCC=C)OC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NCC=C)OC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H18FN3O3S/c1-3-10-21-19(27)23-22-12-13-4-9-16(17(11-13)25-2)26-18(24)14-5-7-15(20)8-6-14/h3-9,11-12H,1,10H2,2H3,(H2,21,23,27)/b22-12+