[4-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(3-pyridin-1-iumylamino)-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-(pyridin-1-ium-3-ylthiocarbamoylamino)phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C16H14N6O2S2 MolecularWeight: 386.45136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O2S2/c23-26(24,22-15-18-9-2-10-19-15)14-6-4-12(5-7-14)20-16(25)21-13-3-1-8-17-11-13/h1-11H,(H3,18,19,20,21,22,25)