3-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 3-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=O)C=C1)O)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C1=CC(=C(C(=O)C=C1)O)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O3S/c17-9-5-6-11-12(7-9)19-16(18-11)23-8-14(21)10-3-1-2-4-13(20)15(10)22/h1-7H,8H2,(H,18,19)(H,20,22)