4-(1H-benzimidazol-2-ylsulfanylmethyl)-7-ethyl-chromen-2-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7-ethyl-chromen-2-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7-ethyl-chromen-2-one CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-7-ethylchromen-2-one Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-7-ethyl-coumarin Formula: C19H16N2O2S MolecularWeight: 336.40754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H16N2O2S/c1-2-12-7-8-14-13(10-18(22)23-17(14)9-12)11-24-19-20-15-5-3-4-6-16(15)21-19/h3-10H,2,11H2,1H3,(H,20,21)