[2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] benzoate

Systemtic Name: [2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] benzoate Openeye Name: [2-bromo-4-[(E)-(carbamothioylhydrazono)methyl]-6-ethoxy-phenyl] benzoate CAS Name: benzoic acid [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] benzoate Traditional Name: benzoic acid [2-bromo-6-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=S)N)Br)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16BrN3O3S/c1-2-23-14-9-11(10-20-21-17(19)25)8-13(18)15(14)24-16(22)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H3,19,21,25)/b20-10+