1-(4-fluorophenyl)-2,5-dimethyl-N-(2-nitro-5-propylsulfanyl-phenyl)pyrrole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-2,5-dimethyl-N-(2-nitro-5-propylsulfanyl-phenyl)pyrrole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-2,5-dimethyl-N-(2-nitro-5-propylsulfanyl-phenyl)pyrrole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-N-[2-nitro-5-(propylthio)phenyl]-3-pyrrolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-2,5-dimethyl-N-(2-nitro-5-propylsulfanylphenyl)pyrrole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-N-[2-nitro-5-(propylthio)phenyl]pyrrole-3-carboxamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H22FN3O3S/c1-4-11-30-18-9-10-21(26(28)29)20(13-18)24-22(27)19-12-14(2)25(15(19)3)17-7-5-16(23)6-8-17/h5-10,12-13H,4,11H2,1-3H3,(H,24,27)