2-methyl-3-[4-methyl-6-oxidanylidene-2-propyl-5,7-bis(sulfanylidene)cyclohepta[d]imidazol-1-yl]-6-phenyl-benzoic acid

Systemtic Name: 2-methyl-3-[4-methyl-6-oxidanylidene-2-propyl-5,7-bis(sulfanylidene)cyclohepta[d]imidazol-1-yl]-6-phenyl-benzoic acid Openeye Name: 2-methyl-3-(4-methyl-6-oxo-2-propyl-5,7-dithioxo-cyclohepta[d]imidazol-1-yl)-6-phenyl-benzoic acid CAS Name: 2-methyl-3-[4-methyl-6-oxo-2-propyl-5,7-bis(sulfanylidene)-1-cyclohepta[d]imidazolyl]-6-phenylbenzoic acid IUPAC Name: 2-methyl-3-[4-methyl-6-oxo-2-propyl-5,7-bis(sulfanylidene)cyclohepta[d]imidazol-1-yl]-6-phenylbenzoic acid Traditional Name: 3-(6-keto-4-methyl-2-propyl-5,7-dithioxo-cyclohept[d]imidazol-1-yl)-2-methyl-6-phenyl-benzoic acid Formula: C26H22N2O3S2 MolecularWeight: 474.59448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=S)C(=O)C(=S)C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C

Isomeric SMILES

CCCC1=NC2=C(C(=S)C(=O)C(=S)C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C

InChI

InChI=1S/C26H22N2O3S2/c1-4-8-21-27-23-15(3)25(33)24(29)20(32)13-19(23)28(21)18-12-11-17(16-9-6-5-7-10-16)22(14(18)2)26(30)31/h5-7,9-13H,4,8H2,1-3H3,(H,30,31)