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

Systemtic Name: [4-bromanyl-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H17BrClN3O2S MolecularWeight: 502.81128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H17BrClN3O2S/c1-14-5-2-3-8-19(14)21(28)29-20-10-9-16(23)11-15(20)13-25-27-22(30)26-18-7-4-6-17(24)12-18/h2-13H,1H3,(H2,26,27,30)/b25-13+