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

Systemtic Name: 5,6-bis(phenylmethylsulfanyl)-1H-benzimidazole-4,7-dione Openeye Name: 5,6-bis(benzylsulfanyl)-1H-benzimidazole-4,7-dione CAS Name: 5,6-bis(phenylmethylthio)-1H-benzimidazole-4,7-dione IUPAC Name: 5,6-bis(benzylsulfanyl)-1H-benzimidazole-4,7-dione Traditional Name: 5,6-bis(benzylthio)-1H-benzimidazole-4,7-quinone Formula: C21H16N2O2S2 MolecularWeight: 392.49394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(C2=O)NC=N3)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(C2=O)NC=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S2/c24-18-16-17(23-13-22-16)19(25)21(27-12-15-9-5-2-6-10-15)20(18)26-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,22,23)