3-[1-(2,4-dichlorophenyl)-2-(2-methylpropylsulfanyl)imidazol-4-yl]chromen-2-one

Systemtic Name: 3-[1-(2,4-dichlorophenyl)-2-(2-methylpropylsulfanyl)imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(2,4-dichlorophenyl)-2-isobutylsulfanyl-imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(2,4-dichlorophenyl)-2-(2-methylpropylthio)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(2,4-dichlorophenyl)-2-(2-methylpropylsulfanyl)imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(2,4-dichlorophenyl)-2-(isobutylthio)imidazol-4-yl]coumarin Formula: C22H18Cl2N2O2S MolecularWeight: 445.36152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=CN1C2=C(C=C(C=C2)Cl)Cl)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C)CSC1=NC(=CN1C2=C(C=C(C=C2)Cl)Cl)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H18Cl2N2O2S/c1-13(2)12-29-22-25-18(11-26(22)19-8-7-15(23)10-17(19)24)16-9-14-5-3-4-6-20(14)28-21(16)27/h3-11,13H,12H2,1-2H3