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

Systemtic Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-nitro-benzamide Openeye Name: 3-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]-3-nitrobenzamide IUPAC Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-nitrobenzamide Traditional Name: 3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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