[2-phenyl-6-[[2-(propylsulfanylmethyl)benzimidazol-1-yl]methyl]phenyl] hydrogen carbonate

Systemtic Name: [2-phenyl-6-[[2-(propylsulfanylmethyl)benzimidazol-1-yl]methyl]phenyl] hydrogen carbonate Openeye Name: [2-phenyl-6-[[2-(propylsulfanylmethyl)benzimidazol-1-yl]methyl]phenyl] hydrogen carbonate CAS Name: carbonic acid [2-phenyl-6-[[2-[(propylthio)methyl]-1-benzimidazolyl]methyl]phenyl] ester IUPAC Name: [2-phenyl-6-[[2-(propylsulfanylmethyl)benzimidazol-1-yl]methyl]phenyl] hydrogen carbonate Traditional Name: carbonic acid [2-phenyl-6-[[2-[(propylthio)methyl]benzimidazol-1-yl]methyl]phenyl] ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=NC2=CC=CC=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCSCC1=NC2=CC=CC=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S/c1-2-15-31-17-23-26-21-13-6-7-14-22(21)27(23)16-19-11-8-12-20(24(19)30-25(28)29)18-9-4-3-5-10-18/h3-14H,2,15-17H2,1H3,(H,28,29)