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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CS4)[O-]

Isomeric SMILES

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CS4)[O-]

InChI

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