[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

Systemtic Name: [4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Openeye Name: [4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide CAS Name: [4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]phenyl]sulfonyl-(4-methyl-2-pyrimidinyl)azanide IUPAC Name: [4-[(3-chloro-4-fluorophenyl)carbamothioylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Traditional Name: [4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Formula: C18H14ClFN5O2S2- MolecularWeight: 450.917463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFN5O2S2/c1-11-8-9-21-17(22-11)25-29(26,27)14-5-2-12(3-6-14)23-18(28)24-13-4-7-16(20)15(19)10-13/h2-10H,1H3,(H3,21,22,23,24,25,28)/p-1