(4-methylphenyl)sulfonylmethyl-[phenyl-(pyridin-2-ylmethylcarbamothioylamino)methylidene]azanium

Systemtic Name: (4-methylphenyl)sulfonylmethyl-[phenyl-(pyridin-2-ylmethylcarbamothioylamino)methylidene]azanium Openeye Name: [phenyl-(2-pyridylmethylcarbamothioylamino)methylene]-(p-tolylsulfonylmethyl)ammonium CAS Name: (4-methylphenyl)sulfonylmethyl-[phenyl-[[(2-pyridinylmethylamino)-sulfanylidenemethyl]amino]methylidene]ammonium IUPAC Name: (4-methylphenyl)sulfonylmethyl-[phenyl-(pyridin-2-ylmethylcarbamothioylamino)methylidene]azanium Traditional Name: [phenyl-(2-pyridylmethylthiocarbamoylamino)methylene]-(tosylmethyl)ammonium Formula: C22H23N4O2S2+ MolecularWeight: 439.57362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[NH+]=C(C2=CC=CC=C2)NC(=S)NCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[NH+]=C(C2=CC=CC=C2)NC(=S)NCC3=CC=CC=N3

InChI

InChI=1S/C22H22N4O2S2/c1-17-10-12-20(13-11-17)30(27,28)16-25-21(18-7-3-2-4-8-18)26-22(29)24-15-19-9-5-6-14-23-19/h2-14H,15-16H2,1H3,(H2,24,25,26,29)/p+1