methyl 2-nitro-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanyl-benzoate

Systemtic Name: methyl 2-nitro-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanyl-benzoate Openeye Name: methyl 2-nitro-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanyl-benzoate CAS Name: 2-nitro-5-[(2-phenyl-3-imidazo[1,2-a]pyridinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-nitro-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylbenzoate Traditional Name: 2-nitro-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)thio]benzoic acid methyl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)SC2=C(N=C3N2C=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)SC2=C(N=C3N2C=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-28-21(25)16-13-15(10-11-17(16)24(26)27)29-20-19(14-7-3-2-4-8-14)22-18-9-5-6-12-23(18)20/h2-13H,1H3