2-(1H-benzimidazol-2-ylsulfanyl)-4,5,6-trimethoxy-2,3-dihydroinden-1-one

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-4,5,6-trimethoxy-2,3-dihydroinden-1-one Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-4,5,6-trimethoxy-indan-1-one CAS Name: 2-(1H-benzimidazol-2-ylthio)-4,5,6-trimethoxy-2,3-dihydroinden-1-one IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-4,5,6-trimethoxy-2,3-dihydroinden-1-one Traditional Name: 2-(1H-benzimidazol-2-ylthio)-4,5,6-trimethoxy-indan-1-one Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CC(C(=O)C2=C1)SC3=NC4=CC=CC=C4N3)OC)OC

Isomeric SMILES

COC1=C(C(=C2CC(C(=O)C2=C1)SC3=NC4=CC=CC=C4N3)OC)OC

InChI

InChI=1S/C19H18N2O4S/c1-23-14-8-10-11(17(24-2)18(14)25-3)9-15(16(10)22)26-19-20-12-6-4-5-7-13(12)21-19/h4-8,15H,9H2,1-3H3,(H,20,21)