methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate

Systemtic Name: methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate Openeye Name: methyl 5-[(E)-(carbamothioylhydrazono)methyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate CAS Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(4-fluorophenyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-[(E)-(thiocarbamoylhydrazono)methyl]pyrrole-2-carboxylic acid methyl ester Formula: C14H13FN4O2S MolecularWeight: 320.342023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(N1C2=CC=C(C=C2)F)C=NNC(=S)N

Isomeric SMILES

COC(=O)C1=CC=C(N1C2=CC=C(C=C2)F)/C=N/NC(=S)N

InChI

InChI=1S/C14H13FN4O2S/c1-21-13(20)12-7-6-11(8-17-18-14(16)22)19(12)10-4-2-9(15)3-5-10/h2-8H,1H3,(H3,16,18,22)/b17-8+