4-[5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]carbonyl-N-cyclohexyl-pyrazole-1-carbothioamide

Systemtic Name: 4-[5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]carbonyl-N-cyclohexyl-pyrazole-1-carbothioamide Openeye Name: 4-[5-chloro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)benzoyl]-N-cyclohexyl-pyrazole-1-carbothioamide CAS Name: 4-[[5-chloro-2-hydroxy-3-[(2-pyrimidinylthio)methyl]phenyl]-oxomethyl]-N-cyclohexyl-1-pyrazolecarbothioamide IUPAC Name: 4-[5-chloro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)benzoyl]-N-cyclohexylpyrazole-1-carbothioamide Traditional Name: 4-[5-chloro-2-hydroxy-3-[(2-pyrimidylthio)methyl]benzoyl]-N-cyclohexyl-pyrazole-1-carbothioamide Formula: C22H22ClN5O2S2 MolecularWeight: 488.02538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2C=C(C=N2)C(=O)C3=CC(=CC(=C3O)CSC4=NC=CC=N4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=S)N2C=C(C=N2)C(=O)C3=CC(=CC(=C3O)CSC4=NC=CC=N4)Cl

InChI

InChI=1S/C22H22ClN5O2S2/c23-16-9-14(13-32-21-24-7-4-8-25-21)19(29)18(10-16)20(30)15-11-26-28(12-15)22(31)27-17-5-2-1-3-6-17/h4,7-12,17,29H,1-3,5-6,13H2,(H,27,31)