2,7,7-trimethyl-1-(4-nitrophenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione

Systemtic Name: 2,7,7-trimethyl-1-(4-nitrophenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione Openeye Name: 2,7,7-trimethyl-1-(4-nitrophenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione CAS Name: 2,7,7-trimethyl-1-(4-nitrophenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione IUPAC Name: 2,7,7-trimethyl-1-(4-nitrophenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione Traditional Name: 2,7,7-trimethyl-1-(4-nitrophenyl)-6,8-dihydro-5H-pyrrol[3,2-c]azepine-4-thione Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C3=CC=C(C=C3)[N+](=O)[O-])CC(CNC2=S)(C)C

Isomeric SMILES

CC1=CC2=C(N1C3=CC=C(C=C3)[N+](=O)[O-])CC(CNC2=S)(C)C

InChI

InChI=1S/C17H19N3O2S/c1-11-8-14-15(9-17(2,3)10-18-16(14)23)19(11)12-4-6-13(7-5-12)20(21)22/h4-8H,9-10H2,1-3H3,(H,18,23)