potassium N-[[6-methyl-2-[(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]carbamodithioate

Systemtic Name: potassium N-[[6-methyl-2-[(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]carbamodithioate Openeye Name: potassium N-[[6-methyl-2-(p-tolylsulfonylamino)pyrimidin-4-yl]amino]carbamodithioate CAS Name: potassium N-[[6-methyl-2-[(4-methylphenyl)sulfonylamino]-4-pyrimidinyl]amino]carbamodithioate IUPAC Name: potassium N-[[6-methyl-2-[(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]carbamodithioate Traditional Name: potassium N-[[6-methyl-2-(tosylamino)pyrimidin-4-yl]amino]carbamodithioate Formula: C13H14KN5O2S3 MolecularWeight: 407.57586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)NNC(=S)[S-])C.[K+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)NNC(=S)[S-])C.[K+]

InChI

InChI=1S/C13H15N5O2S3.K/c1-8-3-5-10(6-4-8)23(19,20)18-12-14-9(2)7-11(15-12)16-17-13(21)22;/h3-7H,1-2H3,(H2,17,21,22)(H2,14,15,16,18);/q;+1/p-1