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

Systemtic Name: 5,6-bis(pentylsulfanyl)-1H-benzimidazole-4,7-dione Openeye Name: 5,6-bis(pentylsulfanyl)-1H-benzimidazole-4,7-dione CAS Name: 5,6-bis(pentylthio)-1H-benzimidazole-4,7-dione IUPAC Name: 5,6-bis(pentylsulfanyl)-1H-benzimidazole-4,7-dione Traditional Name: 5,6-bis(amylthio)-1H-benzimidazole-4,7-quinone Formula: C17H24N2O2S2 MolecularWeight: 352.51466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C(=O)C2=C(C1=O)NC=N2)SCCCCC

Isomeric SMILES

CCCCCSC1=C(C(=O)C2=C(C1=O)NC=N2)SCCCCC

InChI

InChI=1S/C17H24N2O2S2/c1-3-5-7-9-22-16-14(20)12-13(19-11-18-12)15(21)17(16)23-10-8-6-4-2/h11H,3-10H2,1-2H3,(H,18,19)