5-nitro-2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethylsulfanylmethyl]-1H-indole

Systemtic Name: 5-nitro-2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethylsulfanylmethyl]-1H-indole Openeye Name: 5-nitro-2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethylsulfanylmethyl]-1H-indole CAS Name: 5-nitro-2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethylthio]methyl]-1H-indole IUPAC Name: 5-nitro-2-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethylsulfanylmethyl]-1H-indole Traditional Name: 5-nitro-2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethylthio]methyl]-1H-indole Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CCSCC3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CCSCC3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O2S/c26-25(27)21-6-7-22-19(15-21)14-20(23-22)16-28-13-12-24-10-8-18(9-11-24)17-4-2-1-3-5-17/h1-8,14-15,23H,9-13,16H2