N-[2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[(4-chlorophenyl)methylthio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[(4-chlorobenzyl)thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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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=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O3S/c25-19-9-5-17(6-10-19)16-32-23-15-27(22-4-2-1-3-21(22)23)14-13-26-24(29)18-7-11-20(12-8-18)28(30)31/h1-12,15H,13-14,16H2,(H,26,29)