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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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