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

Systemtic Name: 1,2-dimethyl-8-nitro-5-oxidanidyl-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 1,2-dimethyl-8-nitro-5-oxido-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 1,2-dimethyl-8-nitro-5-oxido-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 1,2-dimethyl-8-nitro-5-oxido-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 1,2-dimethyl-8-nitro-5-oxido-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CS4)[O-])C

Isomeric SMILES

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CS4)[O-])C

InChI

InChI=1S/C17H14N4O3S/c1-10-11(2)20-14-6-5-12(21(23)24)8-13(14)17(15-4-3-7-25-15)19(22)9-16(20)18-10/h3-8H,9H2,1-2H3