4-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[[1-(3-methoxyphenyl)-2-imidazolyl]thio]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[[1-(3-methoxyphenyl)imidazol-2-yl]thio]methyl]-8-methyl-coumarin Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=CN3C4=CC(=CC=C4)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=CN3C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C21H18N2O4S/c1-13-18(24)7-6-17-14(10-19(25)27-20(13)17)12-28-21-22-8-9-23(21)15-4-3-5-16(11-15)26-2/h3-11,24H,12H2,1-2H3