6-nitro-5-(2-propylsulfanylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 6-nitro-5-(2-propylsulfanylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 6-nitro-5-(2-propylsulfanylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 6-nitro-5-[2-(propylthio)phenyl]-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 6-nitro-5-(2-propylsulfanylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 6-nitro-5-[2-(propylthio)phenyl]-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C2=NCC(=S)NC3=C2C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=CC=CC=C1C2=NCC(=S)NC3=C2C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O2S2/c1-2-10-25-15-9-4-3-6-12(15)18-17-13(20-16(24)11-19-18)7-5-8-14(17)21(22)23/h3-9H,2,10-11H2,1H3,(H,20,24)