2-methyl-8-nitro-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carbaldehyde

Systemtic Name: 2-methyl-8-nitro-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carbaldehyde Openeye Name: 2-methyl-8-nitro-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carbaldehyde CAS Name: 2-methyl-8-nitro-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carboxaldehyde IUPAC Name: 2-methyl-8-nitro-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carbaldehyde Traditional Name: 2-methyl-8-nitro-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carbaldehyde Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O3S/c1-10-14(9-22)20-13-5-4-11(21(23)24)7-12(13)17(15-3-2-6-25-15)18-8-16(20)19-10/h2-7,9H,8H2,1H3