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

Systemtic Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H18FN3O2S MolecularWeight: 407.460623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN3O2S/c1-15-2-6-17(7-3-15)21(27)28-20-12-4-16(5-13-20)14-24-26-22(29)25-19-10-8-18(23)9-11-19/h2-14H,1H3,(H2,25,26,29)/b24-14+