7-[(4-nitrophenyl)sulfanylmethyl]-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(4-nitrophenyl)sulfanylmethyl]-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(4-nitrophenyl)sulfanylmethyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(4-nitrophenyl)thio]methyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(4-nitrophenyl)sulfanylmethyl]-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(4-nitrophenyl)thio]methyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C19H14N3O3S2+ MolecularWeight: 396.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C=C(N3)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C=C(N3)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O3S2/c23-18-10-14(11-26-16-8-6-15(7-9-16)22(24)25)20-19-21(18)17(12-27-19)13-4-2-1-3-5-13/h1-10,12H,11H2/p+1