N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[2-[[2-(p-tolyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide CAS Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]thio]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[2-[[2-(p-tolyl)-1H-indol-3-yl]thio]ethyl]benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O3S/c1-16-6-8-17(9-7-16)22-23(20-4-2-3-5-21(20)26-22)31-15-14-25-24(28)18-10-12-19(13-11-18)27(29)30/h2-13,26H,14-15H2,1H3,(H,25,28)