[4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C19H16N6O3S2 MolecularWeight: 440.49874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

InChI

InChI=1S/C19H16N6O3S2/c26-17(12-29-19-23-15-4-1-2-5-16(15)24-19)22-13-6-8-14(9-7-13)30(27,28)25-18-20-10-3-11-21-18/h1-11H,12H2,(H3,20,21,22,23,24,25,26)