[4-bromanyl-2-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate Openeye Name: [4-bromo-2-[(E)-(ethylcarbamothioylhydrazono)methyl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-bromo-2-[(E)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-bromo-2-[(E)-(ethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCNC(=S)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C19H20BrN3O3S/c1-3-21-19(27)23-22-12-14-11-15(20)7-10-17(14)26-18(24)13-5-8-16(9-6-13)25-4-2/h5-12H,3-4H2,1-2H3,(H2,21,23,27)/b22-12+