1-[3-[2-nitro-1-(phenylmethylsulfanyl)ethyl]indol-1-yl]ethanone

Systemtic Name: 1-[3-[2-nitro-1-(phenylmethylsulfanyl)ethyl]indol-1-yl]ethanone Openeye Name: 1-[3-(1-benzylsulfanyl-2-nitro-ethyl)indol-1-yl]ethanone CAS Name: 1-[3-[2-nitro-1-(phenylmethylthio)ethyl]-1-indolyl]ethanone IUPAC Name: 1-[3-(1-benzylsulfanyl-2-nitroethyl)indol-1-yl]ethanone Traditional Name: 1-[3-[1-(benzylthio)-2-nitro-ethyl]indol-1-yl]ethanone Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-14(22)20-11-17(16-9-5-6-10-18(16)20)19(12-21(23)24)25-13-15-7-3-2-4-8-15/h2-11,19H,12-13H2,1H3