[4-bromanyl-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-bromophenyl] ester IUPAC Name: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2S/c1-15-7-5-6-10-19(15)21(27)28-20-12-11-17(23)13-16(20)14-24-26-22(29)25-18-8-3-2-4-9-18/h2-14H,1H3,(H2,25,26,29)/b24-14+