N'-(2-ethylsulfanylphenyl)carbonyl-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbohydrazide

Systemtic Name: N'-(2-ethylsulfanylphenyl)carbonyl-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbohydrazide Openeye Name: N'-(2-ethylsulfanylbenzoyl)-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbohydrazide CAS Name: N'-[[2-(ethylthio)phenyl]-oxomethyl]-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarbohydrazide IUPAC Name: N'-(2-ethylsulfanylbenzoyl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide Traditional Name: N'-[2-(ethylthio)benzoyl]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbohydrazide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NNC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NNC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H22FN3O2S/c1-4-29-20-8-6-5-7-18(20)21(27)24-25-22(28)19-13-14(2)26(15(19)3)17-11-9-16(23)10-12-17/h5-13H,4H2,1-3H3,(H,24,27)(H,25,28)