3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-(sulfanylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-(sulfanylmethyl)piperazine-2,5-dione Openeye Name: 3-[(3-chloro-4-hydroxy-phenyl)methyl]-6-(sulfanylmethyl)piperazine-2,5-dione CAS Name: 3-[(3-chloro-4-hydroxyphenyl)methyl]-6-(mercaptomethyl)piperazine-2,5-dione IUPAC Name: 3-[(3-chloro-4-hydroxyphenyl)methyl]-6-(sulfanylmethyl)piperazine-2,5-dione Traditional Name: 3-(3-chloro-4-hydroxy-benzyl)-6-(mercaptomethyl)piperazine-2,5-quinone Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2C(=O)NC(C(=O)N2)CS)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1CC2C(=O)NC(C(=O)N2)CS)Cl)O

InChI

InChI=1S/C12H13ClN2O3S/c13-7-3-6(1-2-10(7)16)4-8-11(17)15-9(5-19)12(18)14-8/h1-3,8-9,16,19H,4-5H2,(H,14,18)(H,15,17)