[1-azanyl-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-5-yl]-phenyl-methanone

Systemtic Name: [1-azanyl-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-5-yl]-phenyl-methanone Openeye Name: [1-amino-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-5-yl]-phenyl-methanone CAS Name: [1-amino-1-[2-(methylthio)-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-phenylmethanone IUPAC Name: [1-amino-1-(2-methylsulfanylpyrimidin-4-yl)benzimidazol-1-ium-5-yl]-phenylmethanone Traditional Name: [1-amino-1-[2-(methylthio)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone Formula: C19H16N5OS+ MolecularWeight: 362.42824

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)[N+]2(C=NC3=C2C=CC(=C3)C(=O)C4=CC=CC=C4)N

Isomeric SMILES

CSC1=NC=CC(=N1)[N+]2(C=NC3=C2C=CC(=C3)C(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C19H16N5OS/c1-26-19-21-10-9-17(23-19)24(20)12-22-15-11-14(7-8-16(15)24)18(25)13-5-3-2-4-6-13/h2-12H,20H2,1H3/q+1