7-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]cyclohepta-3,5-diene-1,2-dione

Systemtic Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]cyclohepta-3,5-diene-1,2-dione Openeye Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]cyclohepta-3,5-diene-1,2-dione CAS Name: 7-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]cyclohepta-3,5-diene-1,2-dione IUPAC Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]cyclohepta-3,5-diene-1,2-dione Traditional Name: 7-[2-(1H-benzimidazol-2-ylthio)acetyl]cyclohepta-3,5-diene-1,2-quinone Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3C=CC=CC(=O)C3=O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3C=CC=CC(=O)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/h1-8,10H,9H2,(H,17,18)