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

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 3-[2-(1H-benzimidazol-2-ylthio)acetyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=C(C(=O)C=CC=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=C(C(=O)C=CC=C3)O

InChI

InChI=1S/C16H12N2O3S/c19-13-8-4-1-5-10(15(13)21)14(20)9-22-16-17-11-6-2-3-7-12(11)18-16/h1-8H,9H2,(H,17,18)(H,19,21)