2-methyl-7-nitro-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione

Systemtic Name: 2-methyl-7-nitro-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione Openeye Name: 2-methyl-7-nitro-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione CAS Name: 2-methyl-7-nitro-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione IUPAC Name: 2-methyl-7-nitro-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione Traditional Name: 2-methyl-7-nitro-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione Formula: C10H11N3O2S MolecularWeight: 237.27824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=S)NC2=C(N1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=S)NC2=C(N1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O2S/c1-6-4-10(16)12-9-5-7(13(14)15)2-3-8(9)11-6/h2-3,5-6,11H,4H2,1H3,(H,12,16)