N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]ethanamine

Systemtic Name: N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]ethanamine Openeye Name: N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]ethanamine CAS Name: N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)thio]ethanamine IUPAC Name: N-ethyl-2-[(1-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]ethanamine Traditional Name: ethyl-[2-[(1-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)thio]ethyl]amine Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCSC1CC2=CC=CC=C2SC3=C1C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCNCCSC1CC2=CC=CC=C2SC3=C1C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O2S2/c1-2-19-10-11-23-17-12-13-6-3-4-9-16(13)24-18-14(17)7-5-8-15(18)20(21)22/h3-9,17,19H,2,10-12H2,1H3