N-[2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylthio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[(2-chloro-6-fluoro-benzyl)thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C24H19ClFN3O3S MolecularWeight: 483.942363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C24H19ClFN3O3S/c25-20-5-3-6-21(26)19(20)15-33-23-14-28(22-7-2-1-4-18(22)23)13-12-27-24(30)16-8-10-17(11-9-16)29(31)32/h1-11,14H,12-13,15H2,(H,27,30)