[4-bromanyl-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H17BrFN3O2S MolecularWeight: 486.356683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H17BrFN3O2S/c1-14-3-2-4-15(11-14)21(28)29-20-10-5-17(23)12-16(20)13-25-27-22(30)26-19-8-6-18(24)7-9-19/h2-13H,1H3,(H2,26,27,30)/b25-13+