5,6-bis(hexylsulfanyl)-1H-benzimidazole-4,7-dione

Systemtic Name: 5,6-bis(hexylsulfanyl)-1H-benzimidazole-4,7-dione Openeye Name: 5,6-bis(hexylsulfanyl)-1H-benzimidazole-4,7-dione CAS Name: 5,6-bis(hexylthio)-1H-benzimidazole-4,7-dione IUPAC Name: 5,6-bis(hexylsulfanyl)-1H-benzimidazole-4,7-dione Traditional Name: 5,6-bis(hexylthio)-1H-benzimidazole-4,7-quinone Formula: C19H28N2O2S2 MolecularWeight: 380.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=O)C2=C(C1=O)NC=N2)SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(C(=O)C2=C(C1=O)NC=N2)SCCCCCC

InChI

InChI=1S/C19H28N2O2S2/c1-3-5-7-9-11-24-18-16(22)14-15(21-13-20-14)17(23)19(18)25-12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,20,21)