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

Systemtic Name: 3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-3-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]cyclohepta-2,4,6-trien-1-one Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(C(=O)C=CC=C3)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(C(=O)C=CC=C3)O

InChI

InChI=1S/C17H14N2O3S/c1-10-6-7-12-13(8-10)19-17(18-12)23-9-15(21)11-4-2-3-5-14(20)16(11)22/h2-8H,9H2,1H3,(H,18,19)(H,20,22)