[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-(ethylcarbamothioylhydrazono)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(E)-(ethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCNC(=S)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H16BrN3O2S/c1-2-19-17(24)21-20-11-12-7-9-13(10-8-12)23-16(22)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3,(H2,19,21,24)/b20-11+