[4-bromanyl-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate Openeye Name: [4-bromo-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-bromo-2-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-bromo-2-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C23H19BrFN3O3S MolecularWeight: 516.382663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C23H19BrFN3O3S/c1-2-30-20-10-3-15(4-11-20)22(29)31-21-12-5-17(24)13-16(21)14-26-28-23(32)27-19-8-6-18(25)7-9-19/h3-14H,2H2,1H3,(H2,27,28,32)/b26-14+