(4-bromophenyl)-[5-methyl-2-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-azanide

Systemtic Name: (4-bromophenyl)-[5-methyl-2-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-azanide Openeye Name: (4-bromophenyl)-[5-methyl-2-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-azanide CAS Name: (4-bromophenyl)-[5-methyl-2-[[(3-pyridin-1-iumylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylazanide IUPAC Name: (4-bromophenyl)-[5-methyl-2-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonylazanide Traditional Name: (4-bromophenyl)-[5-methyl-2-(pyridin-1-ium-3-ylthiocarbamoylamino)phenyl]sulfonyl-azanide Formula: C19H17BrN4O2S2 MolecularWeight: 477.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=C[NH+]=CC=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=C[NH+]=CC=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H16BrN4O2S2/c1-13-4-9-17(23-19(27)22-16-3-2-10-21-12-16)18(11-13)28(25,26)24-15-7-5-14(20)6-8-15/h2-12H,1H3,(H2,22,23,27)/q-1/p+1