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

Systemtic Name: N,N-dimethyl-2-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)sulfanyl]ethanamine Openeye Name: N,N-dimethyl-2-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)sulfanyl]ethanamine CAS Name: N,N-dimethyl-2-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)thio]ethanamine IUPAC Name: N,N-dimethyl-2-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)sulfanyl]ethanamine Traditional Name: dimethyl-[2-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)thio]ethyl]amine Formula: C19H20N4O2S MolecularWeight: 368.4527

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c1-22(2)10-11-26-18-13-20-19(14-6-4-3-5-7-14)16-12-15(23(24)25)8-9-17(16)21-18/h3-9,12H,10-11,13H2,1-2H3