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

Systemtic Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-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=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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