zinc N-[[6-methyl-2-(phenylsulfonylamino)pyrimidin-4-yl]amino]carbamodithioate

Systemtic Name: zinc N-[[6-methyl-2-(phenylsulfonylamino)pyrimidin-4-yl]amino]carbamodithioate Openeye Name: zinc N-[[2-(benzenesulfonamido)-6-methyl-pyrimidin-4-yl]amino]carbamodithioate CAS Name: zinc N-[[2-(benzenesulfonamido)-6-methyl-4-pyrimidinyl]amino]carbamodithioate IUPAC Name: zinc N-[[2-(benzenesulfonamido)-6-methylpyrimidin-4-yl]amino]carbamodithioate Traditional Name: zinc N-[[2-(benzenesulfonamido)-6-methyl-pyrimidin-4-yl]amino]carbamodithioate Formula: C24H24N10O4S6Zn MolecularWeight: 774.31096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)NNC(=S)[S-].CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)NNC(=S)[S-].[Zn+2]

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)NNC(=S)[S-].CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=CC=C2)NNC(=S)[S-].[Zn+2]

InChI

InChI=1S/2C12H13N5O2S3.Zn/c2*1-8-7-10(15-16-12(20)21)14-11(13-8)17-22(18,19)9-5-3-2-4-6-9;/h2*2-7H,1H3,(H2,16,20,21)(H2,13,14,15,17);/q;;+2/p-2