ethyl 4-azanyl-2-[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-5-nitro-imidazol-4-yl]sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-5-nitro-imidazol-4-yl]sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-amino-2-[5-nitro-3-[2-oxo-2-(p-tolyl)ethyl]imidazol-4-yl]sulfanyl-1H-imidazole-5-carboxylate CAS Name: 4-amino-2-[[3-[2-(4-methylphenyl)-2-oxoethyl]-5-nitro-4-imidazolyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-[2-(4-methylphenyl)-2-oxoethyl]-5-nitroimidazol-4-yl]sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 4-amino-2-[[3-[2-keto-2-(p-tolyl)ethyl]-5-nitro-imidazol-4-yl]thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C18H18N6O5S MolecularWeight: 430.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O5S/c1-3-29-17(26)13-14(19)22-18(21-13)30-16-15(24(27)28)20-9-23(16)8-12(25)11-6-4-10(2)5-7-11/h4-7,9H,3,8,19H2,1-2H3,(H,21,22)