3-[(1S)-1-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]sulfanyl-2-nitro-ethyl]-1H-indole

Systemtic Name: 3-[(1S)-1-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]sulfanyl-2-nitro-ethyl]-1H-indole Openeye Name: 3-[(1S)-1-[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]sulfanyl-2-nitro-ethyl]-1H-indole CAS Name: 3-[(1S)-1-[[(1S)-1-(1H-indol-3-yl)-2-nitroethyl]thio]-2-nitroethyl]-1H-indole IUPAC Name: 3-[(1S)-1-[(1S)-1-(1H-indol-3-yl)-2-nitroethyl]sulfanyl-2-nitroethyl]-1H-indole Traditional Name: 3-[(1S)-1-[[(1S)-1-(1H-indol-3-yl)-2-nitro-ethyl]thio]-2-nitro-ethyl]-1H-indole Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])SC(C[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[C@@H](C[N+](=O)[O-])S[C@H](C[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H18N4O4S/c25-23(26)11-19(15-9-21-17-7-3-1-5-13(15)17)29-20(12-24(27)28)16-10-22-18-8-4-2-6-14(16)18/h1-10,19-22H,11-12H2/t19-,20-/m1/s1