2-bromanyl-N-(2-nitrophenyl)sulfanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine

Systemtic Name: 2-bromanyl-N-(2-nitrophenyl)sulfanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine Openeye Name: 2-bromo-N-(2-nitrophenyl)sulfanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine CAS Name: (NE)-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-nitrobenzenesulfenamide IUPAC Name: 2-bromo-N-(2-nitrophenyl)sulfanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine Traditional Name: (E)-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-[(2-nitrophenyl)thio]amine Formula: C19H13BrN4O2S MolecularWeight: 441.30112

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NSC3=CC=CC=C3[N+](=O)[O-])N=C4N1C=C(C=C4)Br

Isomeric SMILES

C1C2=CC=CC=C2/C(=N\SC3=CC=CC=C3[N+](=O)[O-])/N=C4N1C=C(C=C4)Br

InChI

InChI=1S/C19H13BrN4O2S/c20-14-9-10-18-21-19(15-6-2-1-5-13(15)11-23(18)12-14)22-27-17-8-4-3-7-16(17)24(25)26/h1-10,12H,11H2/b22-19+