potassium N-[[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]carbonylamino]carbamodithioate

Systemtic Name: potassium N-[[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]carbonylamino]carbamodithioate Openeye Name: potassium N-[[5-(benzofuran-2-yl)-1-phenyl-pyrazole-3-carbonyl]amino]carbamodithioate CAS Name: potassium N-[[[5-(2-benzofuranyl)-1-phenyl-3-pyrazolyl]-oxomethyl]amino]carbamodithioate IUPAC Name: potassium N-[[5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carbonyl]amino]carbamodithioate Traditional Name: potassium N-[[5-(benzofuran-2-yl)-1-phenyl-pyrazole-3-carbonyl]amino]carbamodithioate Formula: C19H13KN4O2S2 MolecularWeight: 432.56042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)NNC(=S)[S-])C3=CC4=CC=CC=C4O3.[K+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)NNC(=S)[S-])C3=CC4=CC=CC=C4O3.[K+]

InChI

InChI=1S/C19H14N4O2S2.K/c24-18(20-21-19(26)27)14-11-15(23(22-14)13-7-2-1-3-8-13)17-10-12-6-4-5-9-16(12)25-17;/h1-11H,(H,20,24)(H2,21,26,27);/q;+1/p-1