3-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-ethyl-4-nitro-benzamide; N-ethylethanamine

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-ethyl-4-nitro-benzamide; N-ethylethanamine Openeye Name: 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-nitro-benzamide; N-ethylethanamine CAS Name: 3-[(2,4-difluorophenyl)thio]-N-ethyl-4-nitrobenzamide; N-ethylethanamine IUPAC Name: 3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-nitrobenzamide; N-ethylethanamine Traditional Name: diethylamine; 3-[(2,4-difluorophenyl)thio]-N-ethyl-4-nitro-benzamide Formula: C19H23F2N3O3S MolecularWeight: 411.466026

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCNCC.CCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C15H12F2N2O3S.C4H11N/c1-2-18-15(20)9-3-5-12(19(21)22)14(7-9)23-13-6-4-10(16)8-11(13)17;1-3-5-4-2/h3-8H,2H2,1H3,(H,18,20);5H,3-4H2,1-2H3