[4-(pyridin-1-ium-2-ylmethylcarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-(pyridin-1-ium-2-ylmethylcarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-(pyridin-1-ium-2-ylmethylcarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(2-pyridin-1-iumylmethylamino)-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-(pyridin-1-ium-2-ylmethylcarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-(pyridin-1-ium-2-ylmethylthiocarbamoylamino)phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C17H16N6O2S2 MolecularWeight: 400.47794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

Isomeric SMILES

C1=CC=[NH+]C(=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

InChI

InChI=1S/C17H16N6O2S2/c24-27(25,23-16-19-10-3-11-20-16)15-7-5-13(6-8-15)22-17(26)21-12-14-4-1-2-9-18-14/h1-11H,12H2,(H3,19,20,21,22,23,26)