(Z)-3-(1H-benzimidazol-2-ylsulfanyl)-4-oxidanyl-pent-3-en-2-one chloride

Systemtic Name: (Z)-3-(1H-benzimidazol-2-ylsulfanyl)-4-oxidanyl-pent-3-en-2-one chloride Openeye Name: (Z)-3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-pent-3-en-2-one chloride CAS Name: (Z)-3-(1H-benzimidazol-2-ylthio)-4-hydroxy-3-penten-2-one chloride IUPAC Name: (Z)-3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxypent-3-en-2-one chloride Traditional Name: (Z)-3-(1H-benzimidazol-2-ylthio)-4-hydroxy-pent-3-en-2-one chloride Formula: C12H12ClN2O2S- MolecularWeight: 283.75388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SC1=NC2=CC=CC=C2N1)O.[Cl-]

Isomeric SMILES

C/C(=C(\C(=O)C)/SC1=NC2=CC=CC=C2N1)/O.[Cl-]

InChI

InChI=1S/C12H12N2O2S.ClH/c1-7(15)11(8(2)16)17-12-13-9-5-3-4-6-10(9)14-12;/h3-6,15H,1-2H3,(H,13,14);1H/p-1/b11-7-;