potassium 3-azanyl-5-oxidanylidene-N-phenyl-2-(phenylcarbamothioyl)-1H-pyrazole-4-carboximidothioate

Systemtic Name: potassium 3-azanyl-5-oxidanylidene-N-phenyl-2-(phenylcarbamothioyl)-1H-pyrazole-4-carboximidothioate Openeye Name: potassium 3-amino-5-oxo-N-phenyl-2-(phenylcarbamothioyl)-1H-pyrazole-4-carboximidothioate CAS Name: potassium 3-amino-2-[anilino(sulfanylidene)methyl]-5-oxo-N-phenyl-1H-pyrazole-4-carboximidothioate IUPAC Name: potassium 3-amino-5-oxo-N-phenyl-2-(phenylcarbamothioyl)-1H-pyrazole-4-carboximidothioate Traditional Name: potassium 5-amino-3-keto-N-phenyl-1-(phenylthiocarbamoyl)-3-pyrazoline-4-carboximidothioate Formula: C17H14KN5OS2 MolecularWeight: 407.55426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N2C(=C(C(=O)N2)C(=NC3=CC=CC=C3)[S-])N.[K+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N2C(=C(C(=O)N2)C(=NC3=CC=CC=C3)[S-])N.[K+]

InChI

InChI=1S/C17H15N5OS2.K/c18-14-13(16(24)19-11-7-3-1-4-8-11)15(23)21-22(14)17(25)20-12-9-5-2-6-10-12;/h1-10H,18H2,(H,19,24)(H,20,25)(H,21,23);/q;+1/p-1