3-(4-nitrophenyl)sulfanyl-2-phenyl-1H-imidazo[1,2-a]pyrimidin-4-ium

Systemtic Name: 3-(4-nitrophenyl)sulfanyl-2-phenyl-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 3-(4-nitrophenyl)sulfanyl-2-phenyl-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 3-[(4-nitrophenyl)thio]-2-phenyl-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 3-(4-nitrophenyl)sulfanyl-2-phenyl-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 3-[(4-nitrophenyl)thio]-2-phenyl-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C18H13N4O2S+ MolecularWeight: 349.38642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C([N+]3=CC=CN=C3N2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C([N+]3=CC=CN=C3N2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O2S/c23-22(24)14-7-9-15(10-8-14)25-17-16(13-5-2-1-3-6-13)20-18-19-11-4-12-21(17)18/h1-12H/p+1