ethyl 4-azanyl-2-(5-nitro-3-phenacyl-imidazol-4-yl)sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(5-nitro-3-phenacyl-imidazol-4-yl)sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-amino-2-(5-nitro-3-phenacyl-imidazol-4-yl)sulfanyl-1H-imidazole-5-carboxylate CAS Name: 4-amino-2-[(5-nitro-3-phenacyl-4-imidazolyl)thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(5-nitro-3-phenacylimidazol-4-yl)sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 4-amino-2-[(5-nitro-3-phenacyl-imidazol-4-yl)thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C17H16N6O5S MolecularWeight: 416.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1)SC2=C(N=CN2CC(=O)C3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1)SC2=C(N=CN2CC(=O)C3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H16N6O5S/c1-2-28-16(25)12-13(18)21-17(20-12)29-15-14(23(26)27)19-9-22(15)8-11(24)10-6-4-3-5-7-10/h3-7,9H,2,8,18H2,1H3,(H,20,21)