6-ethyl-7-oxidanyl-4-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[1-(phenylmethyl)-2-imidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(1-benzylimidazol-2-yl)thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=CN3CC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=CN3CC4=CC=CC=C4)O

InChI

InChI=1S/C22H20N2O3S/c1-2-16-10-18-17(11-21(26)27-20(18)12-19(16)25)14-28-22-23-8-9-24(22)13-15-6-4-3-5-7-15/h3-12,25H,2,13-14H2,1H3