4-(1H-benzimidazol-2-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C20H16N2O2S MolecularWeight: 348.41824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C20H16N2O2S/c23-19-10-14(11-25-20-21-16-6-1-2-7-17(16)22-20)15-8-12-4-3-5-13(12)9-18(15)24-19/h1-2,6-10H,3-5,11H2,(H,21,22)