4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]carbonyl-N-propan-2-yl-pyrazole-1-carbothioamide

Systemtic Name: 4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]carbonyl-N-propan-2-yl-pyrazole-1-carbothioamide Openeye Name: 4-(3,5-dichloro-2-hydroxy-benzoyl)-N-isopropyl-pyrazole-1-carbothioamide CAS Name: 4-[(3,5-dichloro-2-hydroxyphenyl)-oxomethyl]-N-propan-2-yl-1-pyrazolecarbothioamide IUPAC Name: 4-(3,5-dichloro-2-hydroxybenzoyl)-N-propan-2-ylpyrazole-1-carbothioamide Traditional Name: 4-(3,5-dichloro-2-hydroxy-benzoyl)-N-isopropyl-pyrazole-1-carbothioamide Formula: C14H13Cl2N3O2S MolecularWeight: 358.24292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1C=C(C=N1)C(=O)C2=CC(=CC(=C2O)Cl)Cl

Isomeric SMILES

CC(C)NC(=S)N1C=C(C=N1)C(=O)C2=CC(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C14H13Cl2N3O2S/c1-7(2)18-14(22)19-6-8(5-17-19)12(20)10-3-9(15)4-11(16)13(10)21/h3-7,21H,1-2H3,(H,18,22)