7-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]cyclohepta-3,5-diene-1,2-dione

Systemtic Name: 7-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]cyclohepta-3,5-diene-1,2-dione Openeye Name: 7-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-3,5-diene-1,2-dione CAS Name: 7-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]cyclohepta-3,5-diene-1,2-dione IUPAC Name: 7-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-3,5-diene-1,2-dione Traditional Name: 7-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]cyclohepta-3,5-diene-1,2-quinone Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(C(=O)C(=O)C=C1)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/h1-7,10H,8H2,(H,18,19)