1-methyl-8-nitro-5-oxidanidyl-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 1-methyl-8-nitro-5-oxidanidyl-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 1-methyl-8-nitro-5-oxido-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 1-methyl-8-nitro-5-oxido-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 1-methyl-8-nitro-5-oxido-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 1-methyl-8-nitro-5-oxido-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C16H12N4O3S MolecularWeight: 340.35648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=[N+](C2)[O-])C4=CC=CS4

Isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=[N+](C2)[O-])C4=CC=CS4

InChI

InChI=1S/C16H12N4O3S/c1-10-8-17-15-9-18(21)16(14-3-2-6-24-14)12-7-11(20(22)23)4-5-13(12)19(10)15/h2-8H,9H2,1H3