2-[(5-nitro-1H-indol-2-yl)methylsulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

Systemtic Name: 2-[(5-nitro-1H-indol-2-yl)methylsulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Openeye Name: 2-[(5-nitro-1H-indol-2-yl)methylsulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 2-[(5-nitro-1H-indol-2-yl)methylthio]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 2-[(5-nitro-1H-indol-2-yl)methylsulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Traditional Name: 2-[(5-nitro-1H-indol-2-yl)methylthio]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)CSCC3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)CSCC3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3S/c26-22(24-10-8-17(9-11-24)16-4-2-1-3-5-16)15-29-14-19-12-18-13-20(25(27)28)6-7-21(18)23-19/h1-8,12-13,23H,9-11,14-15H2