2-[[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-ethanamine Openeye Name: 2-[[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-ethanamine CAS Name: 2-[[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]thio]-N,N-dimethylethanamine IUPAC Name: 2-[[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethylethanamine Traditional Name: 2-[[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]thio]ethyl-dimethyl-amine Formula: C19H19FN4O2S MolecularWeight: 386.443163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3F

Isomeric SMILES

CN(C)CCSC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3F

InChI

InChI=1S/C19H19FN4O2S/c1-23(2)9-10-27-18-12-21-19(14-5-3-4-6-16(14)20)15-11-13(24(25)26)7-8-17(15)22-18/h3-8,11H,9-10,12H2,1-2H3