[1-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate

Systemtic Name: [1-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate Openeye Name: [1-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]-2-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]-2-naphthyl] ester Formula: C26H20FN3O2S MolecularWeight: 457.519303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H20FN3O2S/c1-17-6-8-19(9-7-17)25(31)32-24-15-10-18-4-2-3-5-22(18)23(24)16-28-30-26(33)29-21-13-11-20(27)12-14-21/h2-16H,1H3,(H2,29,30,33)/b28-16+